Basic information
- Standard SMILES
O=C(O)c1ccc(COc2ccc(C(F)(F)F)c(Cl)c2)cc1- InChIKey
KPNDXEZAYLFGNM-UHFFFAOYSA-N- Molecular formula
- C15H10ClF3O3
- Average molar mass
- 330.68 g/mol
Names & identifiers
- Preferred name
- 4-[[3-Chloro-4-(trifluoromethyl)phenoxy]methyl]benzoic acid
- IUPAC
- 4-[[3-chloro-4-(trifluoromethyl)phenoxy]methyl]benzoic acid
Names & synonyms
4-[[3-Chloro-4-(trifluoromethyl)phenoxy]methyl]benzoic acid4-{[3-chloro-4-(trifluoromethyl)phenoxy]methyl}benzoic acidSCHEMBL15018124
Database identifiers
- PubChem CID
- 89619142
Properties
Computed structural properties
- XLogP
- 4.4
- Topological polar surface area
- 46.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 4
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 381
Related reactions
1 records
Compound notes
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