Basic information
- CAS
1261916-58-8- Standard SMILES
O=C(O)c1cc(-c2ccc(F)c(C(F)(F)F)c2)cc(C(F)(F)F)c1- InChIKey
HPNUBWDQSRYLMJ-UHFFFAOYSA-N- Molecular formula
- C15H7F7O2
- Average molar mass
- 352.2 g/mol
- Monoisotopic mass
- 352.0334266
Names & identifiers
- Preferred name
- 3-(4-Fluoro-3-trifluoromethylphenyl)-5-trifluoromethylbenzoic acid
- IUPAC
- 3-[4-fluoro-3-(trifluoromethyl)phenyl]-5-(trifluoromethyl)benzoic acid
Names & synonyms
1261916-58-83-(4-FLUORO-3-TRIFLUOROMETHYLPHENYL)-5-TRIFLUOROMETHYLBENZOIC ACID3-[4-fluoro-3-(trifluoromethyl)phenyl]-5-(trifluoromethyl)benzoic acidMFCD18322518DTXSID406918703-(4-Fluoro-3-trifluoromethylphenyl)-5-trifluoromethylbenzoic acid, 95%4'-Fluoro-3',5-bis(trifluoromethyl)[1,1'-biphenyl]-3-carboxylic acid
Database identifiers
- CAS
1261916-58-8- PubChem CID
- 53228337
- DTXSID
DTXSID40691870
Properties
Computed structural properties
- XLogP
- 4.9
- Topological polar surface area
- 37.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 2
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 460
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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