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76752-82-4 | Heptadecafluorooctane-1-sulphonamide, compound with triethylamine (1:1)
CAS No: 76752-82-4 Catalog No: AG005II1 MDL No:
Product Description
Catalog Number:
AG005II1
Chemical Name:
Heptadecafluorooctane-1-sulphonamide, compound with triethylamine (1:1)
CAS Number:
76752-82-4
Molecular Formula:
C14H17F17N2O2S
Molecular Weight:
600.3348
IUPAC Name:
N,N-diethylethanamine;1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctane-1-sulfonamide
InChI:
InChI=1S/C8H2F17NO2S.C6H15N/c9-1(10,3(13,14)5(17,18)7(21,22)23)2(11,12)4(15,16)6(19,20)8(24,25)29(26,27)28;1-4-7(5-2)6-3/h(H2,26,27,28);4-6H2,1-3H3
InChI Key:
QLNGJPWJYNIYOZ-UHFFFAOYSA-N
SMILES:
FC(C(C(C(C(S(=O)(=O)N)(F)F)(F)F)(F)F)(F)F)(C(C(C(F)(F)F)(F)F)(F)F)F.CCN(CC)CC
EC Number:
278-541-9
Properties
Complexity:
755
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
600.074g/mol
Formal Charge:
0
Heavy Atom Count:
36
Hydrogen Bond Acceptor Count:
21
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
600.335g/mol
Monoisotopic Mass:
600.074g/mol
Rotatable Bond Count:
10
Topological Polar Surface Area:
71.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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