Basic information
- Standard SMILES
Cc1nc(Cl)c2ccccc2c1Br- InChIKey
AJDDBYWICPGLDJ-UHFFFAOYSA-N- Molecular formula
- C10H7BrClN
- Average molar mass
- 256.52 g/mol
Names & identifiers
- Preferred name
- 4-Bromo-1-chloro-3-methyl-isoquinoline
- IUPAC
- 4-bromo-1-chloro-3-methylisoquinoline
Names & synonyms
4-bromo-1-chloro-3-methyl-isoquinoline869898-11-34-bromo-1-chloro-3-methylisoquinolineMFCD20278291SCHEMBL1470347AJDDBYWICPGLDJ-UHFFFAOYSA-NSB39210DB-088223CS-0340504EN300-397994G80929
Database identifiers
- PubChem CID
- 82572244
Properties
Computed structural properties
- XLogP
- 4.2
- Topological polar surface area
- 12.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 0
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 188
Related reactions
2 records
Compound notes
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