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87988-71-4 | N-(2-chloroethyl)-N-ethyl-1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluoro-octane-1-sulfonamide
CAS No: 87988-71-4 Catalog No: AG004HRL MDL No:
Product Description
Catalog Number:
AG004HRL
Chemical Name:
N-(2-chloroethyl)-N-ethyl-1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluoro-octane-1-sulfonamide
CAS Number:
87988-71-4
Molecular Formula:
C12H9ClF17NO2S
Molecular Weight:
589.6962
IUPAC Name:
N-(2-chloroethyl)-N-ethyl-1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctane-1-sulfonamide
InChI:
InChI=1S/C12H9ClF17NO2S/c1-2-31(4-3-13)34(32,33)12(29,30)10(24,25)8(20,21)6(16,17)5(14,15)7(18,19)9(22,23)11(26,27)28/h2-4H2,1H3
InChI Key:
BOOHRPALASAVRK-UHFFFAOYSA-N
SMILES:
ClCCN(S(=O)(=O)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)CC
Properties
Complexity:
832
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
588.977g/mol
Formal Charge:
0
Heavy Atom Count:
34
Hydrogen Bond Acceptor Count:
20
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
589.692g/mol
Monoisotopic Mass:
588.977g/mol
Rotatable Bond Count:
11
Topological Polar Surface Area:
45.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6.4
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