ethyl 4-(6-nitro-1H-benzimidazol-2-yl)benzoate
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Basic information
- CAS
906816-20-4- Standard SMILES
CCOC(=O)c1ccc(-c2nc3cc([N+](=O)[O-])ccc3[nH]2)cc1- InChIKey
KMFFNOVXUIRYLG-UHFFFAOYSA-N- Molecular formula
- C16H13N3O4
- Average molar mass
- 311.29 g/mol
- Monoisotopic mass
- 311.0906059
Names & identifiers
- Preferred name
- ethyl 4-(6-nitro-1H-benzimidazol-2-yl)benzoate
- IUPAC
- ethyl 4-(6-nitro-1H-benzimidazol-2-yl)benzoate
- English name
- 4-(5-Nitro-1H-benzimidazol-2-yl)benzoic acid ethyl ester
- Molecular formula
- C16H13N3O4
- Molecular weight
- 0
Names & synonyms
SCHEMBL276519474-(5-Nitro-1H-benzimidazol-2-yl)benzoic acid ethyl ester
Database identifiers
- CAS
906816-20-4- PubChem CID
- 90477985
Properties
Computed structural propertiesFilling in
- XLogP
- 3.6
- Topological polar surface area
- 101 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 445
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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