Basic information
- CAS
5430-75-1- Standard SMILES
NC(=O)NC(=O)Cc1ccc([N+](=O)[O-])cc1- InChIKey
AGDWMWXDXXWYEZ-UHFFFAOYSA-N- Molecular formula
- C9H9N3O4
- Average molar mass
- 223.19 g/mol
- Monoisotopic mass
- 223.05930578
Names & identifiers
- Preferred name
- Benzeneacetamide, N-(aminocarbonyl)-4-nitro-
- IUPAC
- N-carbamoyl-2-(4-nitrophenyl)acetamide
Names & synonyms
Benzeneacetamide, N-(aminocarbonyl)-4-nitro-N-carbamoyl-2-(4-nitrophenyl)acetamide5430-75-19D58BZP334NSC-13405N-(Aminocarbonyl)-4-nitrobenzeneacetamideNSC13405NSC 13405UNII-9D58BZP334DTXSID80202666DS-002382
Database identifiers
- CAS
5430-75-1- PubChem CID
- 95004
- DTXSID
DTXSID80202666- UNII
- 9D58BZP334
- Nikkaji
- J892.554B
Properties
Computed structural properties
- XLogP
- 0.7
- Topological polar surface area
- 118 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 292
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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