Basic information
- CAS
321839-90-1- Standard SMILES
COc1cc(Cl)c(C(=O)C(C)Br)cc1C- InChIKey
GCPRCXZISRDEDG-UHFFFAOYSA-N- Molecular formula
- C11H12BrClO2
- Average molar mass
- 291.57 g/mol
- Monoisotopic mass
- 289.97092
Names & identifiers
- Preferred name
- 2-Bromo-1-(2-chloro-4-methoxy-5-methylphenyl)-1-propanone
- IUPAC
- 2-bromo-1-(2-chloro-4-methoxy-5-methylphenyl)propan-1-one
Names & synonyms
2-Bromo-1-(2-chloro-4-methoxy-5-methylphenyl)-1-propanone321839-90-1SCHEMBL5453679GCPRCXZISRDEDG-UHFFFAOYSA-NDTXSID4011956902-Bromo-1-(2-chloro-4-methoxy-5-methly-phenyl)-propan-1-one2-bromo-1-(2-chloro-4-methoxy-5-methylphenyl)propan-1-one2-Bromo-l-(2-chloro-4-methoxy-5-methly-phenyl)-propan-1-one
Database identifiers
- CAS
321839-90-1- PubChem CID
- 18507828
- DTXSID
DTXSID401195690
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 235
Related reactions
3 records
Compound notes
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