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16059-16-8

16059-16-8 | 2λ5,4λ5,6λ5-1,3,5,2,4,6-Triazatriphosphorine, 2,2,4,4,6,6-hexakis[(2,2,3,3,4,4,5,5-octafluoropentyl)oxy]-

CAS No: 16059-16-8 Catalog No: AG001S1K MDL No:

Product Description

Catalog Number:
AG001S1K
Chemical Name:
2λ5,4λ5,6λ5-1,3,5,2,4,6-Triazatriphosphorine, 2,2,4,4,6,6-hexakis[(2,2,3,3,4,4,5,5-octafluoropentyl)oxy]-
CAS Number:
16059-16-8
Molecular Formula:
C30H18F48N3O6P3
Molecular Weight:
1521.3251
IUPAC Name:
2,2,4,4,6,6-hexakis(2,2,3,3,4,4,5,5-octafluoropentoxy)-1,3,5-triaza-2λ5,4λ5,6λ5-triphosphacyclohexa-1,3,5-triene
InChI:
InChI=1S/C30H18F48N3O6P3/c31-7(32)19(55,56)25(67,68)13(43,44)1-82-88(83-2-14(45,46)26(69,70)20(57,58)8(33)34)79-89(84-3-15(47,48)27(71,72)21(59,60)9(35)36,85-4-16(49,50)28(73,74)22(61,62)10(37)38)81-90(80-88,86-5-17(51,52)29(75,76)23(63,64)11(39)40)87-6-18(53,54)30(77,78)24(65,66)12(41)42/h7-12H,1-6H2
InChI Key:
TYEUBAWEDRQJFN-UHFFFAOYSA-N
SMILES:
FC(C(C(C(COP1(=NP(=NP(=N1)(OCC(C(C(C(F)F)(F)F)(F)F)(F)F)OCC(C(C(C(F)F)(F)F)(F)F)(F)F)(OCC(C(C(C(F)F)(F)F)(F)F)(F)F)OCC(C(C(C(F)F)(F)F)(F)F)(F)F)OCC(C(C(C(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)F

Properties

Complexity:
2160  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
1520.964g/mol
Formal Charge:
0
Heavy Atom Count:
90  
Hydrogen Bond Acceptor Count:
57  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
1521.334g/mol
Monoisotopic Mass:
1520.964g/mol
Rotatable Bond Count:
36  
Topological Polar Surface Area:
92.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
18.1  

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