Basic information
- Standard SMILES
Cn1c(-c2cccc(Cl)c2)cc2ccc(Br)cc2c1=O- InChIKey
KXGWQWMQOSZLQY-UHFFFAOYSA-N- Molecular formula
- C16H11BrClNO
- Average molar mass
- 348.62 g/mol
Names & identifiers
- Preferred name
- 7-bromo-3-(3-chlorophenyl)-2-methylisoquinolin-1(2H)-one
- IUPAC
- 7-bromo-3-(3-chlorophenyl)-2-methylisoquinolin-1-one
Names & synonyms
SCHEMBL6887396KXGWQWMQOSZLQY-UHFFFAOYSA-N7-bromo-3-(3-chlorophenyl)-2-methylisoquinolin-1(2H)-one
Database identifiers
- PubChem CID
- 69928548
Properties
Computed structural properties
- XLogP
- 4.5
- Topological polar surface area
- 20.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 1
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 425
Related reactions
2 records
Compound notes
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