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128454-94-4

128454-94-4 | 1-Hexene, 1-bromo-4,4,5,5,6,6,6-heptafluoro-3,3-bis(trifluoromethyl)-

CAS No: 128454-94-4 Catalog No: AG000Y3U MDL No:MFCD09998034

Product Description

Catalog Number:
AG000Y3U
Chemical Name:
1-Hexene, 1-bromo-4,4,5,5,6,6,6-heptafluoro-3,3-bis(trifluoromethyl)-
CAS Number:
128454-94-4
Molecular Formula:
C8H2BrF13
Molecular Weight:
424.9847
MDL Number:
MFCD09998034
IUPAC Name:
(E)-1-bromo-4,4,5,5,6,6,6-heptafluoro-3,3-bis(trifluoromethyl)hex-1-ene
InChI:
InChI=1S/C8H2BrF13/c9-2-1-3(6(14,15)16,7(17,18)19)4(10,11)5(12,13)8(20,21)22/h1-2H/b2-1+
InChI Key:
KVLSPRHWDKLGCE-OWOJBTEDSA-N
SMILES:
BrC=CC(C(C(C(F)(F)F)(F)F)(F)F)(C(F)(F)F)C(F)(F)F

Properties

Complexity:
409  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1  
Exact Mass:
423.913g/mol
Formal Charge:
0
Heavy Atom Count:
22  
Hydrogen Bond Acceptor Count:
13  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
424.987g/mol
Monoisotopic Mass:
423.913g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6.2  

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