8-chloro-4-phenylsulfanyl-1-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]quinoxaline


Chemical Name: 8-chloro-4-phenylsulfanyl-1-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]quinoxaline
CAS Number: 303997-35-5
Product Number: AG01DUAM(AGN-PC-0K5X67)
Synonyms:
MDL No:
Molecular Formula: C16H8ClF3N4S
Molecular Weight: 380.7747

Identification/Properties


Computed Properties
Molecular Weight:
380.773g/mol
XLogP3:
5.5
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
7
Rotatable Bond Count:
2
Exact Mass:
380.011g/mol
Monoisotopic Mass:
380.011g/mol
Topological Polar Surface Area:
68.4A^2
Heavy Atom Count:
25
Formal Charge:
0
Complexity:
477
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:
Signal Word:
Warning
UN#:
N/A
Hazard Statements:
H302-H315-H319-H335
Precautionary Statements:
P261-P305+P351+P338
Class:
N/A
Packing Group:
N/A

NMR Spectrum


Other Analytical Data


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