Basic information
- CAS
918662-41-6- Standard SMILES
COc1ccc2c(Cl)nc(C)cc2c1- InChIKey
DNDTWMBDNYTXQG-UHFFFAOYSA-N- Molecular formula
- C11H10ClNO
- Average molar mass
- 207.65 g/mol
- Monoisotopic mass
- 207.04509162
Names & identifiers
- Preferred name
- 1-Chloro-6-methoxy-3-methylisoquinoline
- IUPAC
- 1-chloro-6-methoxy-3-methylisoquinoline
Names & synonyms
1-Chloro-6-methoxy-3-methylisoquinoline918662-41-6SCHEMBL744616DTXSID90728226DNDTWMBDNYTXQG-UHFFFAOYSA-NEN300-397913G75541F555432
Database identifiers
- CAS
918662-41-6- PubChem CID
- 57893095
- DTXSID
DTXSID90728226
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 22.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 200
Related reactions
6 records
Compound notes
Loading…