CAS
39856-57-0 Purity
98%
39856-57-0 Purity
98%
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The molecular formula is C5H4BrNO2S.
The molecular weight is 222.06 g/mol.
The IUPAC name is 2-bromo-4-methyl-1,3-thiazole-5-carboxylic acid.
The InChI is InChI=1S/C5H4BrNO2S/c1-2-3(4(8)9)10-5(6)7-2/h1H3,(H,8,9).
The InChIKey is HMSQZHBSTZZNGI-UHFFFAOYSA-N.
The canonical SMILES is CC1=C(SC(=N1)Br)C(=O)O.
The CAS number is 40003-41-6.
The XLogP3-AA value is 2.2.
It has 1 hydrogen bond donor count.
It has 4 hydrogen bond acceptor counts.