2,4-D-butyl
PubChem CID: 7206
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| Compound Synonyms | 94-80-4, Butyl 2,4-dichlorophenoxyacetate, butyl 2-(2,4-dichlorophenoxy)acetate, 2,4-D BUTYL ESTER, 2,4-D-butyl, 2,4-D n-butyl ester, Butyl ester 2,4-D, Lironox, 2,4-D 1-butyl ester, Acetic acid, (2,4-dichlorophenoxy)-, butyl ester, Butyl (2,4-dichlorophenoxy)acetate, Butyl 2,4-D, Butapon, Esso Herbicide 10, Butyl ester of 2,4-D, Component Orange, Purple Component, Shell 40, Butyl dichlorophenoxyacetate, The Crop Rider, Hi-Ester 2,4-D, Line Rider 4T, Orange II Component, Lironox 326, Weed-Rhap B-4D, Weed-Rhap B-6D, 2,4-D-butyl [ISO], Butyl 400, Crop Rider 2.67D, Butyl(2,4-dichlorophenoxy) acetate, Caswell No. 315AL, Felco HV2 Weed Killer, Felco HV4 Weed Killer, T-H Ded-Weed ME-6, T-H Ded-Weed ME-9, Weed-Rhap B-2.67D, 2,4-Dichlorophenoxyacetic acid n-butyl ester, Green Cross Weed-No-More, Diamond Shamrock Butyl 4D, De-Pester Ded-Weed ME-4, De-Pester Ded-Weed ME-5, De-Pester Ded-Weed ME-6, De-Pester Ded-Weed ME-9, 2,4-Dichlorophenoxyacetic acid butyl ester, FS Ester 400 Weed Killer, Monsanto 2,4-D Butyl Ester, NSC 409767, HSDB 1633, Rhodia 2,4-D Butyl Ester 6L, Unico 2,4-D Ester Weed Killer, Chipman 2,4-D Butyl Ester 4E, Chipman 2,4-D Butyl Ester 6E, Olin Butyl Ester D4 Weed Killer, Olin Butyl Ester D6 Weed Killer, MFA 40% Butyl Ester Weed Killer, Barber's 2,4-D Ester Weed Killer, Chipman 2,4-D Butyl Ester 334E, EINECS 202-364-8, 6GO3LVR34R, Amoco 2,4-D Weed Killer No. 6B, Olin Butyl Ester D267 Weed Killer, Abco W.K-67 2,4-D Weed Killer, Barco Weed Killer (ester Formulation), 2,4-d butylate, Diamond Shamrock Butyl 6D Weed Killer, EPA Pesticide Chemical Code 030056, BRN 2056085, General Chemical 2,4-D Butyl Ester Weed Killer, Parsons 2,4-D Weed Killer Butyl Ester, DTXSID5020443, Techne 40% Butyl Ester Type Weed Killer, AI3-08686, Felco Butyl Ester 600 2,4-D Weed Killer, Sure Death 40% Butyl Ester Type Weedkiller, n-Butylester kyseliny 2,4-dichlorfenoxyoctove, Floratox 428 4-Pound 2,4-D Ester Weed Killer, NSC-409767, Associated Sales 4-Pound 2,4-D Ester Weed Killer, General Chemical 2,4-D 4-Butyl Ester Weed Killer, Patterson's Hi-Test Butyl Ester 2,4-D Weed Killer, General Chemical 2,4-D 3.34 Butyl Ester Weed Killer, General Chemical 2,4-D 6.00 Butyl Ester Weed Killer, n-Butylester kyseliny 2,4-dichlorfenoxyoctove [Czech], DTXCID10443, MLS002152860, 2,4-Dichlorophenoxyacetic acid, n-butyl ester, 2,4-D BUTYL ESTER [MI], butyl [(2,4-dichlorophenyl)oxy]acetate, SMR001224484, Miller's 4# Ester, Miller's 6# Ester, MFA No. 4 Weed Killer, MFA No. 6 Weed Killer, CAS-94-80-4, 2,4-d, butyl ester, 2,4-d, n-butyl ester, 2,4-D-1-butyl ester, UNII-6GO3LVR34R, Techne Butyl Ester Weed Killer No. 4, Techne Butyl Ester Weed Killer No. 6, Sure Death No. 4 Butyl Ester Weed Killer, Sure Death No. 6 Butyl Ester Weed Killer, (2,4-Dichlorophenoxy)acetic acid, butyl ester, WeedRhap B4D, WeedRhap B6D, (2, butyl ester, 2,4D butyl ester, MFCD00126845, TH DedWeed ME6, TH DedWeed ME9, 2,4D nbutyl ester, Butyl ester 2,4D, HiEster 2,4D, WeedRhap B2.67D, Butyl 2,4D, DePester DedWeed ME4, DePester DedWeed ME5, DePester DedWeed ME6, DePester DedWeed ME9, Green Cross WeedNoMore, Butyl ester of 2,4D, MFA No 4 Weed Killer, MFA No 6 Weed Killer, Weedone AeroConcentrate E, cid_7206, Weedone AeroConcentrate 96, 2,4-D butylate in Hexane, Monsanto 2,4D Butyl Ester, WLN: GR CG DO1VO4, 2,4-D-1-butyl ester 100 microg/mL in Cyclohexane, Pesticide Code: 030056., 2,4DBE, Rhodia 2,4D Butyl Ester 6L, SCHEMBL1226040, Chipman 2,4D Butyl Ester 4E, Chipman 2,4D Butyl Ester 6E, Unico 2,4D Ester Weed Killer, CHEMBL1446511, BDBM74250, butyl 2,4-dichloro-phenoxyacetate, Abco W.K67 2,4D Weed Killer, Butyl (2,4dichlorophenoxy)acetate, Barber's 2,4D Ester Weed Killer, Chipman 2,4D Butyl Ester 334E, Amoco 2,4-D Weed Killer No 6B, Amoco 2,4D Weed Killer No. 6B, HY-B0867, Tox21_201237, Tox21_302757, butyl2-(2,4-dichlorophenoxy)acetate, NSC409767, STL301520, 2,4-dichlorophenoxyacetic butyl ester, Techne Butyl Ester Weed Killer No 4, Techne Butyl Ester Weed Killer No 6, AKOS005943535, Monsanto 2,4D Butyl Ester Concentrate, Parsons 2,4D Weed Killer Butyl Ester, NCGC00090826-01, NCGC00090826-02, NCGC00090826-03, NCGC00256335-01, NCGC00258789-01, AC-12695, AS-76740, DA-60025, Sure Death No 4 Butyl Ester Weed Killer, Sure Death No 6 Butyl Ester Weed Killer, 2,4Dichlorophenoxyacetic acid nbutyl ester, nButylester kyseliny 2,4dichlorfenoxyoctove, Felco Butyl Ester 600 2,4D Weed Killer, 2,4Dichlorophenoxy)acetic acid, butyl ester, CS-0012882, NS00021405, (2,4-Dichlorophenoxy)acetic acid butyl ester, Acetic acid,4-dichlorophenoxy)-, butyl ester, butyl 2-[2,4-bis(chloranyl)phenoxy]ethanoate, EN300-112152, Floratox 428 4Pound 2,4D Ester Weed Killer, General Chemical 2,4D Butyl Ester Weed Killer, 2-(2,4-dichlorophenoxy)acetic acid butyl ester, Acetic acid, (2,4dichlorophenoxy), butyl ester, Associated Sales 4Pound 2,4D Ester Weed Killer, General Chemical 2,4D 4Butyl Ester Weed Killer, Patterson's HiTest Butyl Ester 2,4D Weed Killer, 2,4-DICHLOROPHENOXYACETIC ACID, BUTYL ESTER, General Chemical 2,4D 3.34 Butyl Ester Weed Killer, General Chemical 2,4D 6.00 Butyl Ester Weed Killer, Q27264880, Z54191175, 2,4-D 1-butyl ester, PESTANAL(R), analytical standard, 202-364-8 |
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| Topological Polar Surface Area | 35.5 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 17.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 236.0 |
| Database Name | cmaup_ingredients;hmdb_chem_all;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Uniprot Id | Q9NUW8, P00352, Q9Y468, O75164, Q92830, Q9UIF8, P83916, Q12809, P08659, Q8WZA2, P05412 |
| Iupac Name | butyl 2-(2,4-dichlorophenoxy)acetate |
| Prediction Hob | 1.0 |
| Class | Benzene and substituted derivatives |
| Target Id | NPT50, NPT94, NPT864 |
| Xlogp | 4.4 |
| Superclass | Benzenoids |
| Subclass | Phenoxyacetic acid derivatives |
| Molecular Formula | C12H14Cl2O3 |
| Prediction Swissadme | 1.0 |
| Inchi Key | UQMRAFJOBWOFNS-UHFFFAOYSA-N |
| Fcsp3 | 0.4166666666666667 |
| Logs | -4.889 |
| Rotatable Bond Count | 7.0 |
| Logd | 3.404 |
| Synonyms | Butyl 2,4-dichlorophenoxyacetic acid, Butyl 2-(2,4-dichlorophenoxy)acetic acid, 2,4-D N-Butyl ester, Butyl ester 2,4-D, 2,4-Dichlorophenoxyacetic acid N-butyl ester, Butyl 2,4-dichlorophenoxyacetate |
| Compound Name | 2,4-D-butyl |
| Kingdom | Organic compounds |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 276.032 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 276.032 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 277.14 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Esol | -3.9152878705882346 |
| Inchi | InChI=1S/C12H14Cl2O3/c1-2-3-6-16-12(15)8-17-11-5-4-9(13)7-10(11)14/h4-5,7H,2-3,6,8H2,1H3 |
| Smiles | CCCCOC(=O)COC1=C(C=C(C=C1)Cl)Cl |
| Nring | 1.0 |
| Defined Bond Stereocenter Count | 0.0 |
| Taxonomy Direct Parent | Phenoxyacetic acid derivatives |
- 1. Outgoing r'ship
FOUND_INto/from Zingiber Officinale (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all