Basic information
- Standard SMILES
COc1ccc(-c2nc3cc(Cl)c(Cl)cc3n2C(=O)OCc2ccccc2)cc1[N+](=O)[O-]- InChIKey
ALMUQUWEYGUFQD-UHFFFAOYSA-N- Molecular formula
- C22H15Cl2N3O5
- Average molar mass
- 472.3 g/mol
Names & identifiers
- Preferred name
- 5,6-Dichloro-2-(4-methoxy-3-nitro-phenyl)-benzoimidazole-1-carboxylic acid benzyl ester
- IUPAC
- benzyl 5,6-dichloro-2-(4-methoxy-3-nitrophenyl)benzimidazole-1-carboxylate
Names & synonyms
SCHEMBL6497743ALMUQUWEYGUFQD-UHFFFAOYSA-N5,6-dichloro-2-(4-methoxy-3-nitro-phenyl)-benzoimidazole-1-carboxylic acid benzyl ester5.6-dichloro-2-(4-methoxy-3-nitro-phenyl)-benzoimidazole-1-carboxylic acid benzyl ester
Database identifiers
- PubChem CID
- 69801597
Properties
Computed structural properties
- XLogP
- 5.9
- Topological polar surface area
- 99.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 5
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 674
Related reactions
2 records
Compound notes
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