CAS
933600-77-2 Purity
96%
933600-77-2 Purity
96%
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Specification
The molecular weight is 206.96 g/mol.
The IUPAC name is (Z)-1-bromo-2,4,4,4-tetrafluorobut-1-ene.
The InChI is InChI=1S/C4H3BrF4/c5-2-3(6)1-4(7,8)9/h2H,1H2/b3-2-.
The InChIKey is TZTXFKUJDWKMKI-IHWYPQMZSA-N.
The canonical SMILES is C(C(=CBr)F)C(F)(F)F.
The isomeric SMILES is C(/C(=C/Br)/F)C(F)(F)F.
The XLogP3-AA value is 2.7.
It has 0 hydrogen bond donor counts.
It has 4 hydrogen bond acceptor counts.
It has 1 rotatable bond count.