Methyl [3-bromo-5-(3-chloro-2-oxopropyl)phenyl]acetate
Basic information
- CAS
1806350-59-3- Standard SMILES
COC(=O)Cc1cc(Br)cc(CC(=O)CCl)c1- InChIKey
RDYWBGUEHBGQBE-UHFFFAOYSA-N- Molecular formula
- C12H12BrClO3
- Average molar mass
- 319.58 g/mol
- Monoisotopic mass
- 317.96583
Names & identifiers
- Preferred name
- Methyl [3-bromo-5-(3-chloro-2-oxopropyl)phenyl]acetate
- IUPAC
- methyl 2-[3-bromo-5-(3-chloro-2-oxopropyl)phenyl]acetate
Names & synonyms
DTXSID7011617871806350-59-3Methyl [3-bromo-5-(3-chloro-2-oxopropyl)phenyl]acetateBenzeneacetic acid, 3-bromo-5-(3-chloro-2-oxopropyl)-, methyl ester
Database identifiers
- CAS
1806350-59-3- PubChem CID
- 134634945
- DTXSID
DTXSID701161787
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 43.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 6
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 283
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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