Basic information
- CAS
36293-12-6- Standard SMILES
CC(C)c1ccccc1NC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1- InChIKey
BVEVBHCJPNJULP-UHFFFAOYSA-N- Molecular formula
- C16H15N3O5
- Average molar mass
- 329.31 g/mol
- Monoisotopic mass
- 329.10117059
Names & identifiers
- Preferred name
- N-[2-(1-Methylethyl)phenyl]-3,5-dinitrobenzamide
- IUPAC
- 3,5-dinitro-N-(2-propan-2-ylphenyl)benzamide
Names & synonyms
Oprea1_299764N-[2-(1-Methylethyl)phenyl]-3,5-dinitrobenzamideDTXSID501240109AKOS00296012336293-12-63,5-Dinitro-N-[2-(propan-2-yl)phenyl]benzamide
Database identifiers
- CAS
36293-12-6- PubChem CID
- 5136271
- DTXSID
DTXSID501240109
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 121 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 463
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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