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Home > Fluorides > 116087-09-3
116087-09-3 | Bicyclo[2.2.1]hept-2-ene, (tridecafluorohexyl)- (9CI)
CAS No: 116087-09-3 Catalog No: AG000BLS MDL No:
Product Description
Catalog Number:
AG000BLS
Chemical Name:
Bicyclo[2.2.1]hept-2-ene, (tridecafluorohexyl)- (9CI)
CAS Number:
116087-09-3
Molecular Formula:
C13H9F13
Molecular Weight:
412.1898
IUPAC Name:
1-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)bicyclo[2.2.1]hept-2-ene
InChI:
InChI=1S/C13H9F13/c14-8(15,7-3-1-6(5-7)2-4-7)9(16,17)10(18,19)11(20,21)12(22,23)13(24,25)26/h1,3,6H,2,4-5H2
InChI Key:
LEFSJEOLPYPKFX-UHFFFAOYSA-N
SMILES:
FC(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(C(C12CCC(C2)C=C1)(F)F)F
Properties
Complexity:
600
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
412.05g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
13
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
412.194g/mol
Monoisotopic Mass:
412.05g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
6.5
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