Basic information
- CAS
61189-89-7- Standard SMILES
COc1cc2cncc(Cc3c(Cl)cccc3Cl)c2cc1OC- InChIKey
MBIFENWMEIMFTM-UHFFFAOYSA-N- Molecular formula
- C18H15Cl2NO2
- Average molar mass
- 348.2 g/mol
- Monoisotopic mass
- 347.0479841
Names & identifiers
- Preferred name
- Isoquinoline, 4-[(2,6-dichlorophenyl)methyl]-6,7-dimethoxy-
- IUPAC
- 4-[(2,6-dichlorophenyl)methyl]-6,7-dimethoxyisoquinoline
Names & synonyms
61189-89-74-(2,6-dichlorobenzyl)-6,7-dimethoxyisoquinoline4-[(2,6-dichlorophenyl)methyl]-6,7-dimethoxyisoquinolineIsoquinoline, 4-[(2,6-dichlorophenyl)methyl]-6,7-dimethoxy-DTXSID00275453
Database identifiers
- CAS
61189-89-7- PubChem CID
- 43565
- DTXSID
DTXSID00275453
Properties
Computed structural properties
- XLogP
- 5.2
- Topological polar surface area
- 31.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 374
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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