2-Acetyl-4-bromophenyl 4-methylbenzoate
Basic information
- CAS
88952-08-3- Standard SMILES
CC(=O)c1cc(Br)ccc1OC(=O)c1ccc(C)cc1- InChIKey
JIIMHIOYMNXTKM-UHFFFAOYSA-N- Molecular formula
- C16H13BrO3
- Average molar mass
- 333.18 g/mol
- Monoisotopic mass
- 332.00481
Names & identifiers
- Preferred name
- 2-Acetyl-4-bromophenyl 4-methylbenzoate
- IUPAC
- (2-acetyl-4-bromophenyl) 4-methylbenzoate
Names & synonyms
88952-08-32-acetyl-4-bromophenyl 4-methylbenzoate(2-acetyl-4-bromophenyl) 4-methylbenzoateBenzoic acid, 4-methyl-, 2-acetyl-4-bromophenyl esterDTXSID10357350AKOS0376552142-acetyl-4-bromophenyl4-methylbenzoateNS-00116AQ-095/41204723
Database identifiers
- CAS
88952-08-3- PubChem CID
- 851665
- DTXSID
DTXSID10357350
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
- 361
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…