CAS
75714-59-9 Purity
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75714-59-9 Purity
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The molecular formula is C9H7BrN2O2.
The molecular weight is 255.07 g/mol.
The IUPAC name is methyl 6-bromo-1H-indazole-3-carboxylate.
The InChI is InChI=1S/C9H7BrN2O2/c1-14-9(13)8-6-3-2-5(10)4-7(6)11-12-8/h2-4H,1H3,(H,11,12).
The InChIKey is FIPMZRPZSZXFGK-UHFFFAOYSA-N.
The Canonical SMILES is COC(=O)C1=NNC2=C1C=CC(=C2)Br.
The CAS number is 885278-42-2.
The European Community (EC) Number is 805-654-8.
The XLogP3-AA value is 2.4.
Yes, Methyl 6-bromo-1H-indazole-3-carboxylate is a canonicalized compound.