4(1H)-Pyrimidinone, 2,3-dihydro-2-hydroxy-5-nitro-2-phenyl-
Basic information
- CAS
68921-94-8- Standard SMILES
O=C1C=C([N+](=O)[O-])NC(O)(c2ccccc2)N1- InChIKey
MIJZVDMCTOAJTB-UHFFFAOYSA-N- Molecular formula
- C10H9N3O4
- Average molar mass
- 235.2 g/mol
- Monoisotopic mass
- 235.05930578
Names & identifiers
- Preferred name
- 4(1H)-Pyrimidinone, 2,3-dihydro-2-hydroxy-5-nitro-2-phenyl-
- IUPAC
- 2-hydroxy-6-nitro-2-phenyl-1,3-dihydropyrimidin-4-one
Names & synonyms
EINECS 272-971-02,4-Dihydroxy-5-nitro-2-phenylpyrimidine2,3-Dihydro-2-hydroxy-5-nitro-2-phenyl-4(1H)-pyrimidinone4(1H)-Pyrimidinone, 2,3-dihydro-2-hydroxy-5-nitro-2-phenyl-RefChem:506257DTXCID60102686768921-94-8DTXSID20887577
Database identifiers
- CAS
68921-94-8- PubChem CID
- 111435
- EC Number
- 272-971-0
Properties
Computed structural properties
- XLogP
- 0.4
- Topological polar surface area
- 107 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 1
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 370
Chemistry & industry
Uses & manufacturing
General Manufacturing Information4(1H)-Pyrimidinone, 2,3-dihydro-2-hydroxy-5-nitro-2-phenyl-: INACTIVE
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Compound notes
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