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161583-34-2 | Octane, 8-bromo-1,1,1,2,2,3,3,4,4,5,5,6,6-tridecafluoro-
CAS No: 161583-34-2 Catalog No: AG001VPS MDL No:MFCD03840352
Product Description
Catalog Number:
AG001VPS
Chemical Name:
Octane, 8-bromo-1,1,1,2,2,3,3,4,4,5,5,6,6-tridecafluoro-
CAS Number:
161583-34-2
Molecular Formula:
C8H4BrF13
Molecular Weight:
427.0006
MDL Number:
MFCD03840352
IUPAC Name:
8-bromo-1,1,1,2,2,3,3,4,4,5,5,6,6-tridecafluorooctane
InChI:
InChI=1S/C8H4BrF13/c9-2-1-3(10,11)4(12,13)5(14,15)6(16,17)7(18,19)8(20,21)22/h1-2H2
InChI Key:
AJIHCPVPJZKWAJ-UHFFFAOYSA-N
SMILES:
BrCCC(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
Properties
Complexity:
395
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:
6
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.8
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