931-18-0 Purity
97%
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Specification
The molecular formula is C6H7ClN2.
The molecular weight is 142.58 g/mol.
The IUPAC name is 3-chloro-2,5-dimethylpyrazine.
The InChI of 3-chloro-2,5-dimethylpyrazine is InChI=1S/C6H7ClN2/c1-4-3-8-5(2)6(7)9-4/h3H,1-2H3.
The InChIKey of 3-chloro-2,5-dimethylpyrazine is NNBALVIZMGWZHS-UHFFFAOYSA-N.
The canonical SMILES of 3-chloro-2,5-dimethylpyrazine is CC1=CN=C(C(=N1)Cl)C.
The CAS number is 95-89-6.
The European Community (EC) Number is 202-463-6.
The UNII is T2GK7ZW2ED.
Yes, 3-chloro-2,5-dimethylpyrazine is a canonicalized compound.