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821806-48-8 | 1,2-Hydrazinedicarboxylic acid, 3,3-dimethylbutyl4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-heptadecafluoroundecyl ester
CAS No: 821806-48-8 Catalog No: AG0056OX MDL No:
Product Description
Catalog Number:
AG0056OX
Chemical Name:
1,2-Hydrazinedicarboxylic acid, 3,3-dimethylbutyl4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-heptadecafluoroundecyl ester
CAS Number:
821806-48-8
Molecular Formula:
C19H20F17N2O4-
Molecular Weight:
663.3460
IUPAC Name:
N-[(8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,15-heptadecafluoro-2,2-dimethylpentadecan-5-yl)oxycarbonylamino]carbamate
InChI:
InChI=1S/C19H21F17N2O4/c1-11(2,3)6-4-8(42-10(41)38-37-9(39)40)5-7-12(20,21)13(22,23)14(24,25)15(26,27)16(28,29)17(30,31)18(32,33)19(34,35)36/h8,37H,4-7H2,1-3H3,(H,38,41)(H,39,40)/p-1
InChI Key:
GQUGYXXPZSVONL-UHFFFAOYSA-M
SMILES:
[O-]C(=O)NNC(=O)OC(CCC(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:
955
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
663.115g/mol
Formal Charge:
-1
Heavy Atom Count:
42
Hydrogen Bond Acceptor Count:
21
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
663.352g/mol
Monoisotopic Mass:
663.115g/mol
Rotatable Bond Count:
14
Topological Polar Surface Area:
90.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
9.2
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