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101896-22-4 | 4,6-Dioxa-3-aza-5-phosphaheptadecan-1-ol, 9,9,10,10,11,11,12,12,13,13,14,14,15,15,16,16,17,17,17-nonadecafluoro-3-(2-hydroxyethyl)-5-[(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-nonadecafluoroundecyl)oxy]-, 5-oxide (9CI)
CAS No: 101896-22-4 Catalog No: AG0005V7 MDL No:
Product Description
Catalog Number:
AG0005V7
Chemical Name:
4,6-Dioxa-3-aza-5-phosphaheptadecan-1-ol, 9,9,10,10,11,11,12,12,13,13,14,14,15,15,16,16,17,17,17-nonadecafluoro-3-(2-hydroxyethyl)-5-[(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-nonadecafluoroundecyl)oxy]-, 5-oxide (9CI)
CAS Number:
101896-22-4
Molecular Formula:
C26H18F38NO6P
Molecular Weight:
1193.3373
IUPAC Name:
[bis(2-hydroxyethyl)amino] bis(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-nonadecafluoroundecyl) phosphate
InChI:
InChI=1S/C26H18F38NO6P/c27-9(28,11(31,32)13(35,36)15(39,40)17(43,44)19(47,48)21(51,52)23(55,56)25(59,60)61)1-7-69-72(68,71-65(3-5-66)4-6-67)70-8-2-10(29,30)12(33,34)14(37,38)16(41,42)18(45,46)20(49,50)22(53,54)24(57,58)26(62,63)64/h66-67H,1-8H2
InChI Key:
SCLANBGRWSJHLY-UHFFFAOYSA-N
SMILES:
OCCN(OP(=O)(OCCC(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)(F)F)OCCC(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)(F)F)CCO
EC Number:
309-981-2
Properties
Complexity:
1750
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
1193.026g/mol
Formal Charge:
0
Heavy Atom Count:
72
Hydrogen Bond Acceptor Count:
45
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
1193.344g/mol
Monoisotopic Mass:
1193.026g/mol
Rotatable Bond Count:
28
Topological Polar Surface Area:
88.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
12.1
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