Basic information
- CAS
7472-61-9- Standard SMILES
O=C(Nc1ccnc(=O)[nH]1)c1ccc([N+](=O)[O-])cc1- InChIKey
RFXMAJGZIUURPT-UHFFFAOYSA-N- Molecular formula
- C11H8N4O4
- Average molar mass
- 260.21 g/mol
- Monoisotopic mass
- 260.05455475
Names & identifiers
- Preferred name
- 4-nitro-N-(2-oxo-1H-pyrimidin-6-yl)benzamide
- IUPAC
- 4-nitro-N-(2-oxo-1H-pyrimidin-6-yl)benzamide
Names & synonyms
NSC4020147472-61-9SCHEMBL16756837DTXSID80322772NSC-4020144-Nitro-N-(2-oxo-2,3-dihydropyrimidin-4-yl)benzamide
Database identifiers
- CAS
7472-61-9- PubChem CID
- 344875
- DTXSID
DTXSID80322772
Properties
Computed structural properties
- XLogP
- 0.2
- Topological polar surface area
- 116 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 458
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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