CAS
212471-40-4 Purity
97%
212471-40-4 Purity
97%
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Specification
The molecular formula is C6H5BrN2O2.
The molecular weight is 217.02 g/mol.
The IUPAC name is methyl 6-bromopyrazine-2-carboxylate.
The InChI is InChI=1S/C6H5BrN2O2/c1-11-6(10)4-2-8-3-5(7)9-4/h2-3H,1H3.
The InChIKey is LYNSTNYSMCKCSS-UHFFFAOYSA-N.
The canonical SMILES is COC(=O)C1=CN=CC(=N1)Br.
The CAS number is 40155-34-8.
The EC number is 833-293-6.
The XLogP3 value is 0.5.
Yes, methyl 6-bromopyrazine-2-carboxylate is canonicalized according to PubChem.