5-Chloro-6-hydroxy-2-(hydroxymethyl)pyrimidin-4(3h)-one
Basic information
- CAS
1197-32-6- Standard SMILES
O=c1[nH]c(CO)nc(O)c1Cl- InChIKey
BZEAETLGGDEKKE-UHFFFAOYSA-N- Molecular formula
- C5H5ClN2O3
- Average molar mass
- 176.56 g/mol
- Monoisotopic mass
- 175.9988697
Names & identifiers
- Preferred name
- 5-Chloro-6-hydroxy-2-(hydroxymethyl)pyrimidin-4(3h)-one
- IUPAC
- 5-chloro-4-hydroxy-2-(hydroxymethyl)-1H-pyrimidin-6-one
Names & synonyms
5-chloro-6-hydroxy-2-(hydroxymethyl)pyrimidin-4(3h)-one1197-32-6NSC31714DTXSID70283469NSC-31714
Database identifiers
- CAS
1197-32-6- PubChem CID
- 233301
- DTXSID
DTXSID70283469
Properties
Computed structural properties
- XLogP
- -0.7
- Topological polar surface area
- 81.9 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 258
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Compound notes
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