CAS
699119-05-6 Purity
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699119-05-6 Purity
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Specification
The molecular formula is C8H7BrN2.
The molecular weight is 211.06 g/mol.
The IUPAC name is 7-bromo-2-methylindazole.
The InChI is InChI=1S/C8H7BrN2/c1-11-5-6-3-2-4-7(9)8(6)10-11/h2-5H,1H3.
The InChIKey is KPAYIFGPJOYWMM-UHFFFAOYSA-N.
The canonical SMILES is CN1C=C2C=CC=C(C2=N1)Br.
The CAS number is 701910-14-7.
The EC number is 696-201-1.
The XLogP3-AA value is 2.3.
Yes, 7-Bromo-2-methyl-2H-indazole is a canonicalized compound.