3-(3,4-Dichlorophenyl)-6,7-dimethoxyisoquinoline
Basic information
- CAS
69504-68-3- Standard SMILES
COc1cc2cnc(-c3ccc(Cl)c(Cl)c3)cc2cc1OC- InChIKey
FERASTJAVKVDSU-UHFFFAOYSA-N- Molecular formula
- C17H13Cl2NO2
- Average molar mass
- 334.2 g/mol
- Monoisotopic mass
- 333.032334
Names & identifiers
- Preferred name
- 3-(3,4-Dichlorophenyl)-6,7-dimethoxyisoquinoline
- IUPAC
- 3-(3,4-dichlorophenyl)-6,7-dimethoxyisoquinoline
Names & synonyms
3-(3,4-dichlorophenyl)-6,7-dimethoxyisoquinoline69504-68-3NSC290077DTXSID90314941NSC-290077
Database identifiers
- CAS
69504-68-3- PubChem CID
- 324478
- DTXSID
DTXSID90314941
Properties
Computed structural properties
- XLogP
- 5
- Topological polar surface area
- 31.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 371
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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