5-Chloro-6-hydroxy-2-phenylpyrimidin-4(3h)-one
Basic information
- CAS
1207-85-8- Standard SMILES
O=c1[nH]c(-c2ccccc2)nc(O)c1Cl- InChIKey
DPGFZLFJGRGNIK-UHFFFAOYSA-N- Molecular formula
- C10H7ClN2O2
- Average molar mass
- 222.63 g/mol
- Monoisotopic mass
- 222.0196052
Names & identifiers
- Preferred name
- 5-Chloro-6-hydroxy-2-phenylpyrimidin-4(3h)-one
- IUPAC
- 5-chloro-4-hydroxy-2-phenyl-1H-pyrimidin-6-one
Names & synonyms
5-chloro-6-hydroxy-2-phenylpyrimidin-4(3h)-one1207-85-8NSC67797SCHEMBL7919020DTXSID00290287NSC-67797
Database identifiers
- CAS
1207-85-8- PubChem CID
- 249453
- DTXSID
DTXSID00290287
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 61.7 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 343
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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