3-Chloro-4-(chloromethyl)isoquinoline
Basic information
- Standard SMILES
ClCc1c(Cl)ncc2ccccc12- InChIKey
ICDRROJXRNPLLX-UHFFFAOYSA-N- Molecular formula
- C10H7Cl2N
- Average molar mass
- 212.07 g/mol
Names & identifiers
- Preferred name
- 3-Chloro-4-(chloromethyl)isoquinoline
- IUPAC
- 3-chloro-4-(chloromethyl)isoquinoline
Names & synonyms
3-chloro-4-(chloromethyl)isoquinoline1446396-06-0SCHEMBL15065320ICDRROJXRNPLLX-UHFFFAOYSA-N
Database identifiers
- PubChem CID
- 86690751
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 12.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 1
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 174
Related reactions
1 records
Compound notes
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