Basic information
- CAS
150445-98-0- Standard SMILES
O=[N+]([O-])c1ccc2c(c1)nc(C=NOCc1ccccc1[N+](=O)[O-])n2Cc1ccc(Cl)cc1Cl- InChIKey
ZLFQPJMNTQAMSX-UHFFFAOYSA-N- Molecular formula
- C22H15Cl2N5O5
- Average molar mass
- 500.3 g/mol
- Monoisotopic mass
- 499.045024
Names & identifiers
- Preferred name
- 1-((2,4-Dichlorophenyl)methyl)-5-nitro-1H-benzimidazole-2-carboxaldehyde O-((2-nitrophenyl)methyl)oxime
- IUPAC
- 1-[1-[(2,4-dichlorophenyl)methyl]-5-nitrobenzimidazol-2-yl]-N-[(2-nitrophenyl)methoxy]methanimine
Names & synonyms
DTXSID3010307781-((2,4-Dichlorophenyl)methyl)-5-nitro-1H-benzimidazole-2-carboxaldehyde O-((2-nitrophenyl)methyl)oxime
Database identifiers
- CAS
150445-98-0- PubChem CID
- 154644
- DTXSID
DTXSID301030778
Properties
Computed structural properties
- XLogP
- 5.8
- Topological polar surface area
- 131 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 6
- Heavy atoms
- 34
- Formal charge
- 0
- Complexity
- 750
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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