Basic information
- CAS
1261952-37-7- Standard SMILES
O=C(O)c1cccc(-c2cc(O)cc(C(F)(F)F)c2)c1- InChIKey
MOPPJFZBONITHC-UHFFFAOYSA-N- Molecular formula
- C14H9F3O3
- Average molar mass
- 282.21 g/mol
- Monoisotopic mass
- 282.05037863
Names & identifiers
- Preferred name
- 5-(3-Carboxyphenyl)-3-trifluoromethylphenol
- IUPAC
- 3-[3-hydroxy-5-(trifluoromethyl)phenyl]benzoic acid
Names & synonyms
1261952-37-73-[3-hydroxy-5-(trifluoromethyl)phenyl]benzoic acid5-(3-CARBOXYPHENYL)-3-TRIFLUOROMETHYLPHENOLMFCD183162895-(3-Carboxyphenyl)-3-trifluoromethylphenol, 95%DTXSID406866003'-Hydroxy-5'-(trifluoromethyl)[1,1'-biphenyl]-3-carboxylic acid
Database identifiers
- CAS
1261952-37-7- PubChem CID
- 53222012
- DTXSID
DTXSID40686600
Properties
Computed structural properties
- XLogP
- 4.2
- Topological polar surface area
- 57.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 2
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 356
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…