CAS
259793-97-0 Purity
97%
259793-97-0 Purity
97%
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Specification
The molecular formula is C5H5ClN2O.
The molecular weight is 144.56 g/mol.
The IUPAC name is 3-chloro-5-methyl-1H-pyrazin-2-one.
The InChI is InChI=1S/C5H5ClN2O/c1-3-2-7-5(9)4(6)8-3/h2H,1H3,(H,7,9).
The InChIKey is FZRWZIJMAGHJBC-UHFFFAOYSA-N.
The canonical SMILES is CC1=CNC(=O)C(=N1)Cl.
The CAS number is 89283-33-0.
The XLogP3-AA value is 0.7.
Yes, it is a canonicalized compound.