CAS
330194-05-3 Purity
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330194-05-3 Purity
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Specification
The molecular formula is C7H4BrNO2S.
The molecular weight is 246.08 g/mol.
The IUPAC name is 3-bromo-4H-thieno[3,2-b]pyrrole-5-carboxylic acid.
The CAS number is 332099-36-2.
The InChI is InChI=1S/C7H4BrNO2S/c8-3-2-12-5-1-4(7(10)11)9-6(3)5/h1-2,9H,(H,10,11).
The InChIKey is WQGQGYADKDKACG-UHFFFAOYSA-N.
The XLogP3-AA value is 2.4.
It has 2 hydrogen bond donor counts.
It has 3 hydrogen bond acceptor counts.
It has 1 rotatable bond count.