Basic information
- Standard SMILES
O=C(O)c1ccc(CC(=O)c2ccccc2Cl)cc1- InChIKey
FOJFEXPUIRIXTD-UHFFFAOYSA-N- Molecular formula
- C15H11ClO3
- Average molar mass
- 274.7 g/mol
Names & identifiers
- Preferred name
- 4-[2-(2-Chlorophenyl)-2-oxoethyl]benzoic acid
- IUPAC
- 4-[2-(2-chlorophenyl)-2-oxoethyl]benzoic acid
Names & synonyms
4-[2-(2-Chlorophenyl)-2-oxoethyl]benzoic acid4-[2-(2-Chlorophenyl]-2-oxoethyl]benzoic acidSCHEMBL5231265FOJFEXPUIRIXTD-UHFFFAOYSA-N4-[2(2-Chlorophenyl)-2-oxoethyl]benzoic acid
Database identifiers
- PubChem CID
- 21837144
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 54.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 334
Related reactions
23 records
Linked notes
Loading…