Basic information
- Standard SMILES
COc1ccc(OC(=O)c2ccccc2C(F)(F)F)cc1- InChIKey
VCESVVQFLMHISS-UHFFFAOYSA-N- Molecular formula
- C15H11F3O3
- Average molar mass
- 296.24 g/mol
- Monoisotopic mass
- 296.06602869
Names & identifiers
- Preferred name
- 2-Trifluoromethylbenzoic acid, 4-methoxyphenyl ester
- IUPAC
- (4-methoxyphenyl) 2-(trifluoromethyl)benzoate
Names & synonyms
2-Trifluoromethylbenzoic acid, 4-methoxyphenyl esterSCHEMBL94172954-methoxyphenyl 2-trifluoromethylbenzoate
Database identifiers
- PubChem CID
- 532426
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 35.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 4
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 349
Related reactions
1 records
Compound notes
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