Basic information
- CAS
883806-18-6- Standard SMILES
Cc1ccc(C(=O)c2ccccc2)c(NC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)c1- InChIKey
VNABWHXZLWCGHV-UHFFFAOYSA-N- Molecular formula
- C21H15N3O6
- Average molar mass
- 405.4 g/mol
- Monoisotopic mass
- 405.09608521
Names & identifiers
- Preferred name
- N-(2-benzoyl-5-methyl-phenyl)-3,5-dinitro-benzamide
- IUPAC
- N-(2-benzoyl-5-methylphenyl)-3,5-dinitrobenzamide
- English name
- N-(2-Benzoyl-5-methyl-phenyl)-3,5-dinitro-benzamide
- Molecular weight
- 0
Names & synonyms
N-(2-benzoyl-5-methyl-phenyl)-3,5-dinitro-benzamideAKOS024422015
Database identifiers
- CAS
883806-18-6- PubChem CID
- 5209999
- EC Number
- 163-740-4
Properties
Computed structural properties
- XLogP
- 4.7
- Topological polar surface area
- 138 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 4
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 645
Chemistry & industry
Suppliers2 total
西格玛奥德里奇（上海）贸易有限公司21-20338288 · [email protected]
SIGMA ALDRICH IRELAND LTD[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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