Basic information
- CAS
209286-02-2- Standard SMILES
COc1cc2ccnc(Cl)c2cc1CBr- InChIKey
CVXKQBFZIPGZIE-UHFFFAOYSA-N- Molecular formula
- C11H9BrClNO
- Average molar mass
- 286.55 g/mol
- Monoisotopic mass
- 284.95560369
Names & identifiers
- Preferred name
- 7-(Bromomethyl)-1-chloro-6-methoxyisoquinoline
- IUPAC
- 7-(bromomethyl)-1-chloro-6-methoxyisoquinoline
- English name
- 7-(BROMOMETHYL)-1-CHLORO-6-METHOXYISOQUINOLINE
- Molecular formula
- C11H9BrClNO
- Molecular weight
- 286.55
Names & synonyms
7-(BROMOMETHYL)-1-CHLORO-6-METHOXYISOQUINOLINE209286-02-27-bromomethyl-1-chloro-6-methoxy-isoquinolineSCHEMBL7220135DTXSID00592576CVXKQBFZIPGZIE-UHFFFAOYSA-NAB63904DB-207857Isoquinoline, 7-(bromomethyl)-1-chloro-6-methoxy-
Database identifiers
- CAS
209286-02-2- PubChem CID
- 18176315
- DTXSID
DTXSID00592576
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 22.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 217
Related reactions
2 records
Compound notes
Loading…