Basic information
- Standard SMILES
COc1ccc2c(Cl)nc(C)c(Br)c2c1- InChIKey
OFFWIQXRKQFJFQ-UHFFFAOYSA-N- Molecular formula
- C11H9BrClNO
- Average molar mass
- 286.55 g/mol
Names & identifiers
- Preferred name
- 4-Bromo-1-chloro-6-methoxy-3-methylisoquinoline
- IUPAC
- 4-bromo-1-chloro-6-methoxy-3-methylisoquinoline
Names & synonyms
4-bromo-1-chloro-6-methoxy-3-methylisoquinoline869898-00-0SCHEMBL1470268OFFWIQXRKQFJFQ-UHFFFAOYSA-NDB-088212EN300-3979744-bromo-1-chloro-6-methoxy-3-methyl-isoquinoline
Database identifiers
- PubChem CID
- 86615932
Properties
Computed structural properties
- XLogP
- 4.1
- Topological polar surface area
- 22.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 229
Related reactions
4 records
Compound notes
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