Basic information
- Standard SMILES
N#Cc1ccc2c([N+](=O)[O-])cc3c(c2c1)C(CCl)CN3- InChIKey
VQMWDNBOSAJSSY-UHFFFAOYSA-N- Molecular formula
- C14H10ClN3O2
- Average molar mass
- 287.7 g/mol
Names & identifiers
- Preferred name
- 1-(Chloromethyl)-5-nitro-1,2-dihydro-3h-benzo[e]indole-8-carbonitrile
- IUPAC
- 1-(chloromethyl)-5-nitro-2,3-dihydro-1H-benzo[e]indole-8-carbonitrile
Names & synonyms
SCHEMBL3555149VQMWDNBOSAJSSY-UHFFFAOYSA-N1-(chloromethyl)-5-nitro-1,2-dihydro-3h-benzo[e]indole-8-carbonitrile
Database identifiers
- PubChem CID
- 44549406
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 81.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 443
Related reactions
2 records
Compound notes
Loading…