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116392-95-1

116392-95-1 | 1,2,3-Triazine, 4,5,6-tris[1,2,2,2-tetrafluoro-1-(trifluoromethyl)ethyl]-

CAS No: 116392-95-1 Catalog No: AG000CDN MDL No:

Product Description

Catalog Number:
AG000CDN
Chemical Name:
1,2,3-Triazine, 4,5,6-tris[1,2,2,2-tetrafluoro-1-(trifluoromethyl)ethyl]-
CAS Number:
116392-95-1
Molecular Formula:
C12F21N3
Molecular Weight:
585.1150
IUPAC Name:
4,5,6-tris(1,1,1,2,3,3,3-heptafluoropropan-2-yl)triazine
InChI:
InChI=1S/C12F21N3/c13-4(7(16,17)18,8(19,20)21)1-2(5(14,9(22,23)24)10(25,26)27)34-36-35-3(1)6(15,11(28,29)30)12(31,32)33
InChI Key:
FYIWWOHRUAGGEW-UHFFFAOYSA-N
SMILES:
FC(C(F)(F)F)(C(F)(F)F)c1c(nnnc1C(C(F)(F)F)(C(F)(F)F)F)C(C(F)(F)F)(C(F)(F)F)F

Properties

Complexity:
693  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
584.976g/mol
Formal Charge:
0
Heavy Atom Count:
36  
Hydrogen Bond Acceptor Count:
24  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
585.119g/mol
Monoisotopic Mass:
584.976g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
38.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6.1  

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