Basic information
- Standard SMILES
O=C(O)Cc1cc(Oc2ccc(C(=O)c3ccccc3)cc2Cl)cc(C(F)(F)F)c1- InChIKey
GDKGEAYYLUSIMA-UHFFFAOYSA-N- Molecular formula
- C22H14ClF3O4
- Average molar mass
- 434.8 g/mol
- Monoisotopic mass
- 434.0532711
Names & identifiers
- Preferred name
- [3-(4-Benzoyl-2-chlorophenoxy)-5-(trifluoromethyl)phenyl]acetic acid
- IUPAC
- 2-[3-(4-benzoyl-2-chlorophenoxy)-5-(trifluoromethyl)phenyl]acetic acid
Names & synonyms
[3-(4-benzoyl-2-chlorophenoxy)-5-(trifluoromethyl)phenyl]acetic acidSCHEMBL883851
Database identifiers
- PubChem CID
- 16123764
Properties
Computed structural properties
- XLogP
- 5.8
- Topological polar surface area
- 63.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 6
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 606
Related reactions
2 records
Compound notes
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