5-Chloro-1,4-dimethylpyrazine-2,3-dione
Basic information
- CAS
87486-42-8- Standard SMILES
Cn1cc(Cl)n(C)c(=O)c1=O- InChIKey
DPFWWFRPMFYFHV-UHFFFAOYSA-N- Molecular formula
- C6H7ClN2O2
- Average molar mass
- 174.58 g/mol
- Monoisotopic mass
- 174.0196052
Names & identifiers
- Preferred name
- 5-Chloro-1,4-dimethylpyrazine-2,3-dione
- IUPAC
- 5-chloro-1,4-dimethylpyrazine-2,3-dione
Names & synonyms
NSC38230287486-42-8DTXSID40321847NSC-382302DS-0035185-Chloro-1,4-dimethyl-1,4-dihydropyrazine-2,3-dione2,3-PYRAZINEDIONE,5-CHLORO-1,4-DIHYDRO-1,4-DIMETHYL-
Database identifiers
- CAS
87486-42-8- PubChem CID
- 343199
- DTXSID
DTXSID40321847
Properties
Computed structural properties
- XLogP
- 0.2
- Topological polar surface area
- 40.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 249
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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