Basic information
- CAS
1261938-99-1- Standard SMILES
O=C(O)c1ccc(F)c(-c2ccc(F)c(C(F)(F)F)c2)c1- InChIKey
QDQPDYMSGQPAPN-UHFFFAOYSA-N- Molecular formula
- C14H7F5O2
- Average molar mass
- 302.2 g/mol
- Monoisotopic mass
- 302.03662027
Names & identifiers
- Preferred name
- 4-Fluoro-3-(4-fluoro-3-trifluoromethylphenyl)benzoic acid
- IUPAC
- 4-fluoro-3-[4-fluoro-3-(trifluoromethyl)phenyl]benzoic acid
Names & synonyms
1261938-99-14-FLUORO-3-(4-FLUORO-3-TRIFLUOROMETHYLPHENYL)BENZOIC ACID4-fluoro-3-[4-fluoro-3-(trifluoromethyl)phenyl]benzoic acidDTXSID40691850MFCD18322498Z19472975844',6-Difluoro-3'-(trifluoromethyl)[1,1'-biphenyl]-3-carboxylic acid
Database identifiers
- CAS
1261938-99-1- PubChem CID
- 53228317
- DTXSID
DTXSID40691850
Properties
Computed structural properties
- XLogP
- 4.2
- Topological polar surface area
- 37.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 2
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 384
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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