6-Chloro-2-(4-chloro-3-cyanophenyl)benzoic acid
Basic information
- CAS
1261925-27-2- Standard SMILES
N#Cc1cc(-c2cccc(Cl)c2C(=O)O)ccc1Cl- InChIKey
DVUSHOOUWCWJOJ-UHFFFAOYSA-N- Molecular formula
- C14H7Cl2NO2
- Average molar mass
- 292.1 g/mol
- Monoisotopic mass
- 290.9853839
Names & identifiers
- Preferred name
- 6-Chloro-2-(4-chloro-3-cyanophenyl)benzoic acid
- IUPAC
- 2-chloro-6-(4-chloro-3-cyanophenyl)benzoic acid
Names & synonyms
1261925-27-2MFCD183213062-chloro-6-(4-chloro-3-cyanophenyl)benzoic acid6-CHLORO-2-(4-CHLORO-3-CYANOPHENYL)BENZOIC ACIDDTXSID606907842-chloro-6-(4-chloro-3-cyano-phenyl)benzoic acid6-Chloro-2-(4-chloro-3-cyanophenyl)benzoic acid, 95%3,4'-Dichloro-3'-cyano[1,1'-biphenyl]-2-carboxylic acid
Database identifiers
- CAS
1261925-27-2- PubChem CID
- 53227197
- DTXSID
DTXSID60690784
Properties
Computed structural properties
- XLogP
- 4
- Topological polar surface area
- 61.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 392
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Compound notes
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