Basic information
- Standard SMILES
O=C(OCc1ccccc1)C(=O)c1ccc(-c2ccccc2Cl)cc1- InChIKey
GPUYBZGNRVLQLU-UHFFFAOYSA-N- Molecular formula
- C21H15ClO3
- Average molar mass
- 350.8 g/mol
Names & identifiers
- Preferred name
- Benzyl 2'-chloro-4-biphenylylglyoxylate
- IUPAC
- benzyl 2-[4-(2-chlorophenyl)phenyl]-2-oxoacetate
Names & synonyms
SCHEMBL11835196GPUYBZGNRVLQLU-UHFFFAOYSA-Nbenzyl 2'-chloro-4-biphenylylglyoxylate
Database identifiers
- PubChem CID
- 21556462
Properties
Computed structural properties
- XLogP
- 5.4
- Topological polar surface area
- 43.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 6
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 450
Related reactions
2 records
Compound notes
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