N-butyl-2-methyl-3,5-dinitro-benzamide
Basic information
- CAS
349416-95-1- Standard SMILES
CCCCNC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1C- InChIKey
RPNQPFJFCUXTKB-UHFFFAOYSA-N- Molecular formula
- C12H15N3O5
- Average molar mass
- 281.26 g/mol
- Monoisotopic mass
- 281.10117059
Names & identifiers
- Preferred name
- N-butyl-2-methyl-3,5-dinitro-benzamide
- IUPAC
- N-butyl-2-methyl-3,5-dinitrobenzamide
Names & synonyms
N-butyl-2-methyl-3,5-dinitro-benzamideAKOS024342175
Database identifiers
- CAS
349416-95-1- PubChem CID
- 4443136
- EC Number
- 149-478-3
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 121 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 376
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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