CAS
13731-82-3 Purity
98%
13731-82-3 Purity
98%
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Specification
The molecular formula is C6H6BrN3O2.
It was created on July 19, 2005.
The IUPAC name is 3-bromo-4-methyl-5-nitropyridin-2-amine.
The InChIKey is ZIVNKACVCVSAEO-UHFFFAOYSA-N.
The Canonical SMILES is CC1=C(C(=NC=C1[N+](=O)[O-])N)Br.
The molecular weight is 232.03 g/mol.
It has 1 hydrogen bond donor count.
The topological polar surface area is 84.7Ų.
No, it has 0 defined atom stereocenter count.
Yes, it is a canonicalized compound.