Basic information
- CAS
150445-97-9- Standard SMILES
O=[N+]([O-])c1cccc(CON=Cc2nc3cc([N+](=O)[O-])ccc3n2Cc2ccc(Cl)cc2)c1- InChIKey
BFBKOBZOHCVZBE-UHFFFAOYSA-N- Molecular formula
- C22H16ClN5O5
- Average molar mass
- 465.8 g/mol
- Monoisotopic mass
- 465.0839963
Names & identifiers
- Preferred name
- 1-((4-Chlorophenyl)methyl)-5-nitro-1H-benzimidazole-2-carboxaldehyde O-((3-nitrophenyl)methyl)oxime
- IUPAC
- 1-[1-[(4-chlorophenyl)methyl]-5-nitrobenzimidazol-2-yl]-N-[(3-nitrophenyl)methoxy]methanimine
Names & synonyms
DTXSID6010307771-((4-Chlorophenyl)methyl)-5-nitro-1H-benzimidazole-2-carboxaldehyde O-((3-nitrophenyl)methyl)oxime
Database identifiers
- CAS
150445-97-9- PubChem CID
- 154643
- DTXSID
DTXSID601030777
Properties
Computed structural properties
- XLogP
- 5.2
- Topological polar surface area
- 131 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 6
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 708
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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