CAS
94-57-5 Purity
96%
94-57-5 Purity
96%
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The molecular formula is C7H4BrIN2.
It was created on September 10, 2007.
The molecular weight is 322.93 g/mol.
The IUPAC Name is 3-bromo-7-iodo-2H-indazole.
The InChIKey is CSVJSYJEYYTJPV-UHFFFAOYSA-N.
The Canonical SMILES is C1=CC2=C(NN=C2C(=C1)I)Br.
The XLogP3-AA value is 3.2.
There is 1 hydrogen bond donor count.
The topological polar surface area is 28.7Å2.
Yes, the compound is canonicalized.