Basic information
- Standard SMILES
O=c1ncc(Cl)cn1CSc1ccc([N+](=O)[O-])cc1- InChIKey
RZLJUNKWQLSUMX-UHFFFAOYSA-N- Molecular formula
- C11H8ClN3O3S
- Average molar mass
- 297.72 g/mol
- Monoisotopic mass
- 296.99749
Names & identifiers
- Preferred name
- 1-(4-Nitrophenylsulfenyl)methyl-5-chloropyrimidin-2-one
- IUPAC
- 5-chloro-1-[(4-nitrophenyl)sulfanylmethyl]pyrimidin-2-one
Names & synonyms
SCHEMBL10737230RZLJUNKWQLSUMX-UHFFFAOYSA-N1-(4-Nitrophenylsulfenyl)methyl-5-chloropyrimidin-2-one
Database identifiers
- PubChem CID
- 20161335
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 104 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 427
Related reactions
3 records
Compound notes
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