Basic information
- Standard SMILES
O=[N+]([O-])n1c2cnccc2c2ccc(Cl)cc21- InChIKey
GMFVPTJVBPCULC-UHFFFAOYSA-N- Molecular formula
- C11H6ClN3O2
- Average molar mass
- 247.64 g/mol
- Monoisotopic mass
- 247.0148541
Names & identifiers
- Preferred name
- 7-Chloro-9-nitro-beta-carboline
- IUPAC
- 7-chloro-9-nitropyrido[3,4-b]indole
Names & synonyms
SCHEMBL27683687-chloro-9-nitro-beta-carbolineGMFVPTJVBPCULC-UHFFFAOYSA-N
Database identifiers
- PubChem CID
- 22185271
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 63.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 322
Related reactions
16 records
Compound notes
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