Basic information
- CAS
1214344-18-9- Standard SMILES
O=C(O)c1c(Cl)cccc1-c1cccc(F)c1- InChIKey
FBWOIYXOUWPQOO-UHFFFAOYSA-N- Molecular formula
- C13H8ClFO2
- Average molar mass
- 250.65 g/mol
- Monoisotopic mass
- 250.0196853
Names & identifiers
- Preferred name
- 3-Chloro-3'-fluoro[1,1'-biphenyl]-2-carboxylic acid
- IUPAC
- 2-chloro-6-(3-fluorophenyl)benzoic acid
Names & synonyms
1214344-18-92-chloro-6-(3-fluorophenyl)benzoic acidMFCD147014033-Chloro-3'-fluoro[1,1'-biphenyl]-2-carboxylic acidDTXSID506734606-CHLORO-2-(3-FLUOROPHENYL)BENZOIC ACID6-Chloro-2-(3-fluorophenyl)benzoic acid, 95%
Database identifiers
- CAS
1214344-18-9- PubChem CID
- 46314458
- DTXSID
DTXSID50673460
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 37.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 285
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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