Basic information
- CAS
67335-04-0- Standard SMILES
Oc1ccc2ccnc(Cc3ccc(Br)cc3)c2c1- InChIKey
UNMKGIFVZGAJSN-UHFFFAOYSA-N- Molecular formula
- C16H12BrNO
- Average molar mass
- 314.18 g/mol
- Monoisotopic mass
- 313.01023
Names & identifiers
- Preferred name
- 1-(4-Bromobenzyl)isoquinolin-7-ol
- IUPAC
- 1-[(4-bromophenyl)methyl]isoquinolin-7-ol
Names & synonyms
1-(4-bromobenzyl)isoquinolin-7-ol67335-04-01-[(4-bromophenyl)methyl]isoquinolin-7-olNSC1599247-Isoquinolinol,1-[(4-bromophenyl)methyl]-DTXSID80986595NSC-159924DS-006013
Database identifiers
- CAS
67335-04-0- PubChem CID
- 293370
- DTXSID
DTXSID80986595
Properties
Computed structural properties
- XLogP
- 4.4
- Topological polar surface area
- 33.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 290
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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