Isoquinoline, 6,7-dimethoxy-4-(o-fluorobenzyl)-, hydrobromide
Basic information
- CAS
32871-42-4- Standard SMILES
COc1cc2c[nH+]cc(Cc3ccccc3F)c2cc1OC.[Br-]- InChIKey
ASOJLCFLSMBZBU-UHFFFAOYSA-N- Molecular formula
- C18H17BrFNO2
- Average molar mass
- 378.2 g/mol
- Monoisotopic mass
- 377.04267
Names & identifiers
- Preferred name
- Isoquinoline, 6,7-dimethoxy-4-(o-fluorobenzyl)-, hydrobromide
- IUPAC
- 4-[(2-fluorophenyl)methyl]-6,7-dimethoxyisoquinolin-2-ium bromide
Names & synonyms
6,7-Dimethoxy-4-(o-fluorobenzyl)isoquinoline hydrobromide32871-42-4ISOQUINOLINE, 6,7-DIMETHOXY-4-(o-FLUOROBENZYL)-, HYDROBROMIDERefChem:350056
Database identifiers
- CAS
32871-42-4- PubChem CID
- 36260
Properties
Computed structural properties
- Topological polar surface area
- 32.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 354
Suppliers
Loading…
Open inquiries
Loading…
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…