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163773-91-9 | 2-Butene, 4-bromo-1,1,1-trifluoro-2-(trifluoromethyl)-
CAS No: 163773-91-9 Catalog No: AG001UDW MDL No:
Product Description
Catalog Number:
AG001UDW
Chemical Name:
2-Butene, 4-bromo-1,1,1-trifluoro-2-(trifluoromethyl)-
CAS Number:
163773-91-9
Molecular Formula:
C5H3BrF6
Molecular Weight:
256.9717
IUPAC Name:
4-bromo-1,1,1-trifluoro-2-(trifluoromethyl)but-2-ene
InChI:
InChI=1S/C5H3BrF6/c6-2-1-3(4(7,8)9)5(10,11)12/h1H,2H2
InChI Key:
QTLNFAPTIXFPCH-UHFFFAOYSA-N
SMILES:
BrCC=C(C(F)(F)F)C(F)(F)F
Properties
Complexity:
159
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
255.932g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
256.973g/mol
Monoisotopic Mass:
255.932g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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