CAS
128-08-5 Purity
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128-08-5 Purity
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Specification
The molecular formula is C8H6BrFN2.
The molecular weight is 229.05 g/mol.
The IUPAC name is 6-bromo-5-fluoro-1-methylindazole.
The InChI is InChI=1S/C8H6BrFN2/c1-12-8-3-6(9)7(10)2-5(8)4-11-12/h2-4H,1H3.
The InChIKey is YLZKXJRVDISQRH-UHFFFAOYSA-N.
The canonical SMILES is CN1C2=CC(=C(C=C2C=N1)F)Br.
The CAS number is 1286734-86-8.
The XLogP3-AA value is 2.4.
The compound has 0 hydrogen bond donor counts.
The compound has 2 hydrogen bond acceptor counts.