Basic information
- Standard SMILES
CCOc1cnc(Cl)c2ccccc12- InChIKey
OQWIVDUTWDQNJY-UHFFFAOYSA-N- Molecular formula
- C11H10ClNO
- Average molar mass
- 207.65 g/mol
Names & identifiers
- Preferred name
- 1-Chloro-4-ethoxyisoquinoline
- IUPAC
- 1-chloro-4-ethoxyisoquinoline
Names & synonyms
1-chloro-4-ethoxyisoquinoline4903-72-41-chloro-4-ethoxyisoquinolinSCHEMBL13728697OQWIVDUTWDQNJY-UHFFFAOYSA-NDA-29549
Database identifiers
- PubChem CID
- 86683243
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 22.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 188
Related reactions
7 records
Compound notes
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