CAS
626-87-9 Purity
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626-87-9 Purity
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Specification
The molecular formula is C5H3BrF2S.
The molecular weight is 213.05 g/mol.
The IUPAC name is 4-bromo-2-(difluoromethyl)thiophene.
The InChI is InChI=1S/C5H3BrF2S/c6-3-1-4(5(7)8)9-2-3/h1-2,5H.
The InChIKey is FPSAHMIQBUZQQQ-UHFFFAOYSA-N.
The Canonical SMILES is C1=C(SC=C1Br)C(F)F.
The CAS number is 627526-93-6.
The XLogP3-AA value is 2.9.
Yes, 4-Bromo-2-(difluoromethyl)-thiophene is a canonicalized compound.