Basic information
- CAS
1290634-40-0- Standard SMILES
O=c1[nH]c(-c2cccc(Cl)c2)cc2ccc(Br)cc12- InChIKey
NMNLXVSNJLUKQW-UHFFFAOYSA-N- Molecular formula
- C15H9BrClNO
- Average molar mass
- 334.59 g/mol
- Monoisotopic mass
- 332.95560369
Names & identifiers
- Preferred name
- 7-bromo-3-(3-chlorophenyl)isoquinolin-1(2H)-one
- IUPAC
- 7-bromo-3-(3-chlorophenyl)-2H-isoquinolin-1-one
Names & synonyms
7-bromo-3-(3-chlorophenyl)isoquinolin-1(2H)-oneSCHEMBL6888366NMNLXVSNJLUKQW-UHFFFAOYSA-NDTXSID3012324151(2H)-Isoquinolinone, 7-bromo-3-(3-chlorophenyl)-1290634-40-0
Database identifiers
- CAS
1290634-40-0- PubChem CID
- 69928893
- DTXSID
DTXSID301232415
Properties
Computed structural properties
- XLogP
- 4.3
- Topological polar surface area
- 29.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 1
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 398
Related reactions
2 records
Compound notes
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