Cyclopropanecarboxylic acid, 3-(2,2-dibromoethenyl)-2,2-dimethyl-, cyano(3-phenoxyphenyl)methyl ester, (1R-(1alpha(S*),3alpha))-
PubChem CID: 2982
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| Compound Synonyms | 52820-00-5, RU 22950, Cyano(3-phenoxyphenyl)methyl 3-(2,2-dibromovinyl)-2,2-dimethylcyclopropanecarboxylate, Deltamethrin-d5, Cyclopropanecarboxylic acid, 3-(2,2-dibromoethenyl)-2,2-dimethyl-, cyano(3-phenoxyphenyl)methyl ester, Nrdc 161, [cyano-(3-phenoxyphenyl)methyl] 3-(2,2-dibromoethenyl)-2,2-dimethylcyclopropane-1-carboxylate, Dekametrin, Cyclopropanecarboxylic acid, 3-(2,2-dibromoethenyl)-2,2-dimethyl-, cyano(3-phenoxyphenyl)methyl ester, [1R-[1.alpha.(S*),3.alpha.]]-, Synthetic pyrethrins, RUP 987, Caswell No. 463B, OMS 1988, FMC 45498, cyano(3-phenoxyphenyl)methyl 3-(2,2-dibromovinyl)-2,2-dimethylcyclopropane-1-carboxylate, RU 22974, NRDC 16, NRDC 156, NRDC 158, EPA Pesticide Chemical Code 209400, deltametrin, Cyclopropanecarboxylic acid, 3-(2,2-dibromoethenyl)-2,2-dimethyl-, cyano(3-phenoxyphenyl)methyl ester, (1R-(1.alpha.(S*),3.alpha.))-, Butoflin (Salt/Mix), alpha-Cyano-3-phenoxybenzyl-3-(2,2-dibromovinyl)-2,2-dimethylcyclopropanecarboxylate, BMK1-H9, SCHEMBL678019, DTXSID8041822, deltamethrin (isomer unspecified), ALBB-024960, Cyclopropanecarboxylic acid, 3-(2,2-dibromoethenyl)-2,2-dimethyl-, (R)-cyano(3-phenoxyphenyl)methyl ester, (1R,3R)-rel-, SYB63323, HSCI1_000217, MFCD00870122, STK664292, AKOS005535936, NCGC00160425-01, 59112-88-8, DB-052207, NS00076427, Cyano(3-phenoxyphenyl)methyl 3-(2,2-dibromoethenyl)-2,2-dimethyl-cyclopropanecarboxylate, cyano(3-phenoxyphenyl)methyl 3-(2,2-dibromoethenyl)-2,2-dimethylcyclopropanecarboxylate, (S)-Cyano(4-phenoxyphenyl)methyl 3-(2,2-dibromovinyl)-2,2-dimethylcyclopropanecarboxylate, (1R,3R)-, alpha-CYANO-3-PHENOXYBENZYL 3-(2,2-DIBROMOETHENYL)-2,2-DIMETHYLCYCLOPROPANECARBOXYLATE, Cyclopropanecarboxylic acid, 3-(2,2-dibromoethenyl)-2,2-dimethyl-, cyano(3-phenoxyphenyl)methyl ester, (1R-(1alpha(s*),3alpha))- |
|---|---|
| Topological Polar Surface Area | 59.3 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 28.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 643.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | [cyano-(3-phenoxyphenyl)methyl] 3-(2,2-dibromoethenyl)-2,2-dimethylcyclopropane-1-carboxylate |
| Nih Violation | False |
| Prediction Hob | 1.0 |
| Xlogp | 6.2 |
| Is Pains | False |
| Molecular Formula | C22H19Br2NO3 |
| Prediction Swissadme | 0.0 |
| Inchi Key | OWZREIFADZCYQD-UHFFFAOYSA-N |
| Fcsp3 | 0.2727272727272727 |
| Rotatable Bond Count | 7.0 |
| Compound Name | Cyclopropanecarboxylic acid, 3-(2,2-dibromoethenyl)-2,2-dimethyl-, cyano(3-phenoxyphenyl)methyl ester, (1R-(1alpha(S*),3alpha))- |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 504.971 |
| Formal Charge | 0.0 |
| Brenk Violation | False |
| Monoisotopic Mass | 502.973 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 505.2 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 3.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -6.733420057142857 |
| Inchi | InChI=1S/C22H19Br2NO3/c1-22(2)17(12-19(23)24)20(22)21(26)28-18(13-25)14-7-6-10-16(11-14)27-15-8-4-3-5-9-15/h3-12,17-18,20H,1-2H3 |
| Smiles | CC1(C(C1C(=O)OC(C#N)C2=CC(=CC=C2)OC3=CC=CC=C3)C=C(Br)Br)C |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Myristica Fragrans (Plant) Rel Props:Source_db:cmaup_ingredients