Basic information
- CAS
7506-12-9- Standard SMILES
O=C(COC(=O)c1ccccc1)c1ccc(Br)cc1- InChIKey
VTEGMTYLKZOVGZ-UHFFFAOYSA-N- Molecular formula
- C15H11BrO3
- Average molar mass
- 319.15 g/mol
- Monoisotopic mass
- 317.98916
Names & identifiers
- Preferred name
- p-Bromophenacyl benzoate
- IUPAC
- [2-(4-bromophenyl)-2-oxoethyl] benzoate
- English name
- P-BROMOPHENACYLBENZOATE
- Molecular formula
- C15H10BrO3-
- Molecular weight
- 318.1421
Names & synonyms
p-Bromophenacyl benzoateEthanone, 2-(benzoyloxy)-1-(4-bromophenyl)-DTXSID30323315Acetophenone, 4'-bromo-2-hydroxy-, benzoateRefChem:367610DTXCID30274434VTEGMTYLKZOVGZ-UHFFFAOYSA-N2-(4-Bromophenyl)-2-oxoethyl benzoate7506-12-9P-BROMOPHENACYLBENZOATECBDivE_001702MLS000561005
Show more names
Benzoic acid p-bromophenacyl esterBenzoic acid 4-bromophenacyl esterBenzoic acid 2-oxo-2-(4-bromophenyl)ethyl esterBenzoic acid 2-(4-bromophenyl)-2-oxoethyl ester
Benzoic acid 2-(4-bromo-phenyl)-2-oxo-ethyl esterCHEMBL1556166HMS2499C24NSC403572STK386188AKOS000674601NSC-403572NCI60_003805
Database identifiers
- CAS
7506-12-9- PubChem CID
- 345792
- DTXSID
DTXSID30323315- ChEMBL
CHEMBL1556166- Nikkaji
- J146.529E
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 43.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 315
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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