1-methyl-3-[3-methyl-4-[4-(trifluoromethylsulfonyl)phenoxy]phenyl]-1,3,5-triazinane-2,4,6-trione


Chemical Name: 1-methyl-3-[3-methyl-4-[4-(trifluoromethylsulfonyl)phenoxy]phenyl]-1,3,5-triazinane-2,4,6-trione
CAS Number: 69004-04-2
Product Number: AG005M6C(AGN-PC-0KOFYF)
Synonyms:
MDL No:
Molecular Formula: C18H14F3N3O6S
Molecular Weight: 457.3805

Identification/Properties


Properties
MP:
242-244°C
Storage:
2-8℃;Keep in dry area;
Form:
Solid
Computed Properties
Molecular Weight:
457.38g/mol
XLogP3:
3.1
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
9
Rotatable Bond Count:
4
Exact Mass:
457.056g/mol
Monoisotopic Mass:
457.056g/mol
Topological Polar Surface Area:
122A^2
Heavy Atom Count:
31
Formal Charge:
0
Complexity:
836
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

Safety Information


GHS Pictogram:
N/A
Signal Word:
UN#:
-
Hazard Statements:
-
Precautionary Statements:
Class:
-
Packing Group:
-

NMR Spectrum


Other Analytical Data


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