Cyclopropanecarboxylic acid, 3-(2,2-dichloroethenyl)-2,2-dimethyl-, cyano(3-(4-hydroxyphenoxy)phenyl)methyl ester, (1R-(1alpha(S*),3alpha))-
Basic information
- CAS
82079-73-0- Standard SMILES
CC1(C)[C@H](C(=O)O[C@H](C#N)c2cccc(Oc3ccc(O)cc3)c2)[C@@H]1C=C(Cl)Cl- InChIKey
RMCYSJORMXBLLG-NSHGMRRFSA-N- Molecular formula
- C22H19Cl2NO4
- Average molar mass
- 432.3 g/mol
- Monoisotopic mass
- 431.0691135
Names & identifiers
- Preferred name
- Cyclopropanecarboxylic acid, 3-(2,2-dichloroethenyl)-2,2-dimethyl-, cyano(3-(4-hydroxyphenoxy)phenyl)methyl ester, (1R-(1alpha(S*),3alpha))-
- IUPAC
- trans-[(S)-cyano-[3-(4-hydroxyphenoxy)phenyl]methyl] (1R,3R)-3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropane-1-carboxylate
Names & synonyms
DTXSID90134943882079-73-0Cyclopropanecarboxylic acid, 3-(2,2-dichloroethenyl)-2,2-dimethyl-, cyano(3-(4-hydroxyphenoxy)phenyl)methyl ester, (1R-(1alpha(S*),3alpha))-rel-(S)-Cyano[3-(4-hydroxyphenoxy)phenyl]methyl (1R,3R)-3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropanecarboxylate
Database identifiers
- CAS
82079-73-0- PubChem CID
- 186249
- DTXSID
DTXSID901349438
Properties
Computed structural properties
- XLogP
- 5.7
- Topological polar surface area
- 79.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 7
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 674
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Compound notes
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