2,4-Dichlorobenzoic Acid
PubChem CID: 5787
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| Compound Synonyms | 2,4-DICHLOROBENZOIC ACID, 50-84-0, Benzoic acid, 2,4-dichloro-, NSC 578, EINECS 200-067-8, BRN 1868192, CCRIS 9472, DTXSID0024977, UNII-0SR0320D45, CHEBI:30748, AI3-14873, NSC-578, 2,4-Dichlorbenzoic acid, MFCD00002414, 0SR0320D45, DTXCID104977, 4-09-00-00998 (Beilstein Handbook Reference), DICHLOROBENZOIC ACID, 2,4-, 2,4-Dichlorobenzoicacid, FUROSEMIDE IMPURITY E [EP IMPURITY], FUROSEMIDE IMPURITY E (EP IMPURITY), 2,4 dichlorobenzoic acid, 2,4-Dichloro-benzoic acid, 2,4-DCBA, 2,4-Dichlorobenzoic Acid, Furosemide Imp. E (EP), 2,4-Dichlorobenzyl Alcohol Impurity E, Furosemide Impurity E, WLN: QVR BG DG, bmse000672, C06670, SCHEMBL111279, NSC578, CHEMBL1492029, 2,4-Dichlorobenzoic acid, 98%, STR01599, Tox21_200756, STK297837, AKOS000119754, CS-W013226, FD39142, PS-4049, CAS-50-84-0, NCGC00091214-01, NCGC00091214-02, NCGC00091214-03, NCGC00258310-01, AC-22899, PD163264, SY007062, D0337, NS00010527, EN300-18039, D77744, AB01333124-02, AG-617/02198062, Q27104142, Z57127531, F2191-0069, 2,4-Dichlorobenzoic acid, PESTANAL(R), analytical standard, 200-067-8 |
|---|---|
| Topological Polar Surface Area | 37.3 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 11.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 161.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Uniprot Id | Q16637, P16473, P29466, Q03181, Q16236 |
| Iupac Name | 2,4-dichlorobenzoic acid |
| Prediction Hob | 1.0 |
| Target Id | NPT93, NPT210, NPT277 |
| Xlogp | 2.8 |
| Molecular Formula | C7H4Cl2O2 |
| Prediction Swissadme | 0.0 |
| Inchi Key | ATCRIUVQKHMXSH-UHFFFAOYSA-N |
| Fcsp3 | 0.0 |
| Logs | -2.468 |
| Rotatable Bond Count | 1.0 |
| Logd | 2.069 |
| Compound Name | 2,4-Dichlorobenzoic Acid |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 189.959 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 189.959 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 191.01 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.138516963636364 |
| Inchi | InChI=1S/C7H4Cl2O2/c8-4-1-2-5(7(10)11)6(9)3-4/h1-3H,(H,10,11) |
| Smiles | C1=CC(=C(C=C1Cl)Cl)C(=O)O |
| Nring | 1.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Hypericum Annulatum (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 2. Outgoing r'ship
FOUND_INto/from Vernonia Guineensis (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all