Basic information
- Standard SMILES
O=[N+]([O-])c1cccc2c(Br)nccc12- InChIKey
PIBYISINYAJLRA-UHFFFAOYSA-N- Molecular formula
- C9H5BrN2O2
- Average molar mass
- 253.05 g/mol
- Monoisotopic mass
- 251.95344
Names & identifiers
- Preferred name
- 1-Bromo-5-nitroisoquinoline
- IUPAC
- 1-bromo-5-nitroisoquinoline
Names & synonyms
1-Bromo-5-nitroisoquinoline96630-53-41-bromo-5-nitro isoquinolineSCHEMBL10549357PIBYISINYAJLRA-UHFFFAOYSA-NDB-162492
Database identifiers
- PubChem CID
- 14617005
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 58.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 231
Related reactions
3 records
Compound notes
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