Basic information
- CAS
115651-20-2- Standard SMILES
Nc1ccn(Cl)c(=O)n1- InChIKey
XNDBTWXUKBPVOQ-UHFFFAOYSA-N- Molecular formula
- C4H4ClN3O
- Average molar mass
- 145.55 g/mol
- Monoisotopic mass
- 145.0042895
Names & identifiers
- Preferred name
- 4-Amino-1-chloro-2(1H)-pyrimidinone
- IUPAC
- 4-amino-1-chloropyrimidin-2-one
Names & synonyms
4-Amino-1-chloro-2(1H)-pyrimidinone115651-20-2RefChem:289730SCHEMBL4726442DTXSID1012926894-Amino-1-chloropyrimidin-2(1H)-one
Database identifiers
- CAS
115651-20-2- PubChem CID
- 85558892
- DTXSID
DTXSID101292689
Properties
Computed structural properties
- XLogP
- -0.5
- Topological polar surface area
- 58.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 0
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 198
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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