CAS
6840-45-5 Purity
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6840-45-5 Purity
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Specification
The molecular formula is C6H2Br2F2.
The molecular weight is 271.88 g/mol.
The IUPAC name is 1,2-dibromo-3,5-difluorobenzene.
The InChI is InChI=1S/C6H2Br2F2/c7-4-1-3(9)2-5(10)6(4)8/h1-2H.
The InChIKey is GABNJPUNFZFOJE-UHFFFAOYSA-N.
The canonical SMILES is C1=C(C=C(C(=C1F)Br)Br)F.
The CAS number is 139215-43-3.
The DSSTox Substance ID is DTXSID90905919.
The XLogP3-AA value is 3.5.
Yes, 1,2-Dibromo-3,5-difluorobenzene is a canonicalized compound.