Basic information
- CAS
1261966-78-2- Standard SMILES
O=C(O)c1ccc(Cl)cc1-c1ccc(F)c(C(F)(F)F)c1- InChIKey
XLIAHAFQZMAGCO-UHFFFAOYSA-N- Molecular formula
- C14H7ClF4O2
- Average molar mass
- 318.65 g/mol
- Monoisotopic mass
- 318.0070698
Names & identifiers
- Preferred name
- 4-Chloro-2-(4-fluoro-3-trifluoromethylphenyl)benzoic acid
- IUPAC
- 4-chloro-2-[4-fluoro-3-(trifluoromethyl)phenyl]benzoic acid
Names & synonyms
1261966-78-24-chloro-2-[4-fluoro-3-(trifluoromethyl)phenyl]benzoic acidMFCD183225124-CHLORO-2-(4-FLUORO-3-TRIFLUOROMETHYLPHENYL)BENZOIC ACIDDTXSID306918644-Chloro-2-(4-fluoro-3-trifluoromethylphenyl)benzoic acid, 95%5-Chloro-4'-fluoro-3'-(trifluoromethyl)[1,1'-biphenyl]-2-carboxylic acid
Database identifiers
- CAS
1261966-78-2- PubChem CID
- 53228331
- DTXSID
DTXSID30691864
Properties
Computed structural properties
- XLogP
- 4.7
- Topological polar surface area
- 37.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 2
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 388
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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