CAS
350998-05-9 Purity
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350998-05-9 Purity
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Specification
The molecular formula is C16H12BrNO2S.
The molecular weight is 362.2 g/mol.
The IUPAC name is 6-bromo-2-(2,5-dimethylthiophen-3-yl)quinoline-4-carboxylic acid.
The InChIKey is ZQLRQIBWPQUPTL-UHFFFAOYSA-N.
The compound has 1 hydrogen bond donor count.
The compound has 4 hydrogen bond acceptor counts.
The topological polar surface area is 78.4Ų.
The compound has 2 rotatable bond counts.
Yes, the compound is canonicalized.
The XLogP3-AA value is 4.6.