Basic information
- CAS
6338-21-2- Standard SMILES
O=C(CBr)c1cc(-c2ccccc2)nc2c(Cl)cccc12- InChIKey
XAYZEHQNQBUPDM-UHFFFAOYSA-N- Molecular formula
- C17H11BrClNO
- Average molar mass
- 360.6 g/mol
- Monoisotopic mass
- 358.97125
Names & identifiers
- Preferred name
- 2-Bromo-1-(8-chloro-2-phenylquinolin-4-yl)ethanone
- IUPAC
- 2-bromo-1-(8-chloro-2-phenylquinolin-4-yl)ethanone
Names & synonyms
2-bromo-1-(8-chloro-2-phenylquinolin-4-yl)ethanone6338-21-2NSC40407DTXSID80285075NSC-404072-Bromo-1-(8-chloro-2-phenylquinolin-4-yl)ethan-1-one
Database identifiers
- CAS
6338-21-2- PubChem CID
- 237138
- DTXSID
DTXSID80285075
Properties
Computed structural properties
- XLogP
- 5
- Topological polar surface area
- 30 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 372
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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