Basic information
- CAS
88952-07-2- Standard SMILES
CC(=O)c1cc(Br)ccc1OC(=O)c1ccccc1C- InChIKey
NSEAOJVPXZJPLO-UHFFFAOYSA-N- Molecular formula
- C16H13BrO3
- Average molar mass
- 333.18 g/mol
- Monoisotopic mass
- 332.00481
Names & identifiers
- Preferred name
- 2-Acetyl-4-bromophenyl 2-methylbenzoate
- IUPAC
- (2-acetyl-4-bromophenyl) 2-methylbenzoate
Names & synonyms
88952-07-2Benzoic acid, 2-methyl-, 2-acetyl-4-bromophenyl ester2-Acetyl-4-bromophenyl 2-methylbenzoateDTXSID40526012
Database identifiers
- CAS
88952-07-2- PubChem CID
- 13190811
- DTXSID
DTXSID40526012- Nikkaji
- J3.336.066E
Properties
Computed structural properties
- XLogP
- 4.1
- Topological polar surface area
- 43.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 369
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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