Basic information
- CAS
2782-41-4- Standard SMILES
CCCCNC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1- InChIKey
FGIFCTOQWKVMBH-UHFFFAOYSA-N- Molecular formula
- C11H13N3O5
- Average molar mass
- 267.24 g/mol
- Monoisotopic mass
- 267.08552052
Names & identifiers
- Preferred name
- N-butyl-3,5-dinitrobenzamide
- IUPAC
- N-butyl-3,5-dinitrobenzamide
Names & synonyms
N-butyl-3,5-dinitrobenzamide2782-41-4DTXSID20322756RefChem:363552DTXCID20273875n-n-butyl-3,5-dinitrobenzamideNSC401979N-butyl-3.5-dinitrobenzamideSCHEMBL5506840STK093948AKOS003265950N-BUTYL-3,5-DINITRO-BENZAMIDE
Show more names
NSC-401979(3,5-dinitrophenyl)-N-butylcarboxamideST010795
Database identifiers
- CAS
2782-41-4- PubChem CID
- 344853
- DTXSID
DTXSID20322756- Nikkaji
- J400.950I
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 121 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 327
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…