59255-95-7 Purity
98%+
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Specification
The molecular formula is C7H8BrClN2O2.
The molecular weight is 267.51 g/mol.
The IUPAC name is 2-amino-5-bromo-4-methylpyridine-3-carboxylic acid;hydrochloride.
The InChI is InChI=1S/C7H7BrN2O2.ClH/c1-3-4(8)2-10-6(9)5(3)7(11)12;/h2H,1H3,(H2,9,10)(H,11,12);1H.
The InChIKey is BCISCWGZRSBOHW-UHFFFAOYSA-N.
The Canonical SMILES is CC1=C(C(=NC=C1Br)N)C(=O)O.Cl.
The CAS number is 59414-89-0.
The hydrogen bond donor count is 3.
The hydrogen bond acceptor count is 4.
Yes, it is the canonicalized form.