Basic information
- Standard SMILES
CCCCc1nccc2ccc(Br)cc12- InChIKey
XZIUZTNKKDJKCY-UHFFFAOYSA-N- Molecular formula
- C13H14BrN
- Average molar mass
- 264.16 g/mol
Names & identifiers
- Preferred name
- 7-Bromo-1-butylisoquinoline
- IUPAC
- 7-bromo-1-butylisoquinoline
Names & synonyms
7-bromo-1-butylisoquinolineSCHEMBL3352267XZIUZTNKKDJKCY-UHFFFAOYSA-N
Database identifiers
- PubChem CID
- 21085995
Properties
Computed structural properties
- XLogP
- 4.5
- Topological polar surface area
- 12.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 3
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 195
Related reactions
6 records
Compound notes
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