Basic information
- CAS
1850-96-0- Standard SMILES
CCCc1nc(O)c(Cl)c(=O)[nH]1- InChIKey
DRXRBCSWNSYBKS-UHFFFAOYSA-N- Molecular formula
- C7H9ClN2O2
- Average molar mass
- 188.61 g/mol
- Monoisotopic mass
- 188.0352552
Names & identifiers
- Preferred name
- 5-Chloro-6-hydroxy-2-propylpyrimidin-4(3h)-one
- IUPAC
- 5-chloro-4-hydroxy-2-propyl-1H-pyrimidin-6-one
Names & synonyms
1850-96-05-chloro-6-hydroxy-2-propylpyrimidin-4(3h)-oneNSC66905DTXSID00290126NSC-66905DS-0056865-chloro-6-hydroxy-2-propyl-3H-pyrimidin-4-one
Database identifiers
- CAS
1850-96-0- PubChem CID
- 249010
- DTXSID
DTXSID00290126
Properties
Computed structural properties
- XLogP
- 0.8
- Topological polar surface area
- 61.7 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 271
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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