CAS
433-19-2 Purity
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433-19-2 Purity
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Specification
The molecular formula is C8H7BrF2.
The molecular weight is 221.04 g/mol.
The IUPAC name is 1-bromo-2-(1,1-difluoroethyl)benzene.
The InChI is InChI=1S/C8H7BrF2/c1-8(10,11)6-4-2-3-5-7(6)9/h2-5H,1H3.
The InChIKey is XZJWDIHNMMLGLA-UHFFFAOYSA-N.
The canonical SMILES is CC(C1=CC=CC=C1Br)(F)F.
The CAS number is 444581-46-8.
The XLogP3-AA value is 3.4.
Yes, it is a canonicalized compound.