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206560-77-2 | Benzene, 1-bromo-4-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctyl)-
CAS No: 206560-77-2 Catalog No: AG002ILD MDL No:
Product Description
Catalog Number:
AG002ILD
Chemical Name:
Benzene, 1-bromo-4-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctyl)-
CAS Number:
206560-77-2
Molecular Formula:
C14H4BrF17
Molecular Weight:
575.0584
IUPAC Name:
1-bromo-4-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctyl)benzene
InChI:
InChI=1S/C14H4BrF17/c15-6-3-1-5(2-4-6)7(16,17)8(18,19)9(20,21)10(22,23)11(24,25)12(26,27)13(28,29)14(30,31)32/h1-4H
InChI Key:
XDEOJAJPLXXYKA-UHFFFAOYSA-N
SMILES:
Brc1ccc(cc1)C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
Properties
Complexity:
671
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
573.922g/mol
Formal Charge:
0
Heavy Atom Count:
32
Hydrogen Bond Acceptor Count:
17
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
575.063g/mol
Monoisotopic Mass:
573.922g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
8.2
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