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128454-91-1 | Hexane, 6-bromo-1,1,1,2,2,3,3-heptafluoro-4,4-bis(trifluoromethyl)-
CAS No: 128454-91-1 Catalog No: AG000Y3V MDL No:MFCD00153700
Product Description
Catalog Number:
AG000Y3V
Chemical Name:
Hexane, 6-bromo-1,1,1,2,2,3,3-heptafluoro-4,4-bis(trifluoromethyl)-
CAS Number:
128454-91-1
Molecular Formula:
C8H4BrF13
Molecular Weight:
427.0006
MDL Number:
MFCD00153700
IUPAC Name:
6-bromo-1,1,1,2,2,3,3-heptafluoro-4,4-bis(trifluoromethyl)hexane
InChI:
InChI=1S/C8H4BrF13/c9-2-1-3(6(14,15)16,7(17,18)19)4(10,11)5(12,13)8(20,21)22/h1-2H2
InChI Key:
UVKBMPCVVMQGLN-UHFFFAOYSA-N
SMILES:
BrCCC(C(C(C(F)(F)F)(F)F)(F)F)(C(F)(F)F)C(F)(F)F
Properties
Complexity:
372
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
425.929g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
13
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
427.003g/mol
Monoisotopic Mass:
425.929g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6.1
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