Basic information
- CAS
64372-61-8- Standard SMILES
O=C(O)c1ccc(C(F)(F)F)cc1C(=O)c1ccccc1- InChIKey
HKWWTMOHEYXAOX-UHFFFAOYSA-N- Molecular formula
- C15H9F3O3
- Average molar mass
- 294.22 g/mol
- Monoisotopic mass
- 294.05037863
Names & identifiers
- Preferred name
- 2-Benzoyl-4-(trifluoromethyl)benzoic acid
- IUPAC
- 2-benzoyl-4-(trifluoromethyl)benzoic acid
Names & synonyms
2-benzoyl-4-(trifluoromethyl)benzoic acid64372-61-8SCHEMBL9537242DTXSID00494824HKWWTMOHEYXAOX-UHFFFAOYSA-N
Database identifiers
- CAS
64372-61-8- PubChem CID
- 12371076
- DTXSID
DTXSID00494824
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 54.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 3
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 399
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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