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821806-50-2 | 1,2-Hydrazinedicarboxylic acid, trans-4-(1,1-dimethylethyl)cyclohexyl4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-heptadecafluoroundecyl ester
CAS No: 821806-50-2 Catalog No: AG0056OW MDL No:
Product Description
Catalog Number:
AG0056OW
Chemical Name:
1,2-Hydrazinedicarboxylic acid, trans-4-(1,1-dimethylethyl)cyclohexyl4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-heptadecafluoroundecyl ester
CAS Number:
821806-50-2
Molecular Formula:
C23H26F17N2O4-
Molecular Weight:
717.4364
IUPAC Name:
N-[[1-(4-tert-butylcyclohexyl)-4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-heptadecafluoroundecoxy]carbonylamino]carbamate
InChI:
InChI=1S/C23H27F17N2O4/c1-15(2,3)11-6-4-10(5-7-11)12(46-14(45)42-41-13(43)44)8-9-16(24,25)17(26,27)18(28,29)19(30,31)20(32,33)21(34,35)22(36,37)23(38,39)40/h10-12,41H,4-9H2,1-3H3,(H,42,45)(H,43,44)/p-1
InChI Key:
DOVXIIRQRAFNNG-UHFFFAOYSA-M
SMILES:
[O-]C(=O)NNC(=O)OC([C@@H]1CC[C@H](CC1)C(C)(C)C)CCC(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:
1080
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
717.162g/mol
Formal Charge:
-1
Heavy Atom Count:
46
Hydrogen Bond Acceptor Count:
21
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
717.444g/mol
Monoisotopic Mass:
717.162g/mol
Rotatable Bond Count:
13
Topological Polar Surface Area:
90.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
10.6
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