1H-1,2,4-Triazole, 1-[(4-methylphenyl)sulfonyl]-3-nitro-


Chemical Name: 1H-1,2,4-Triazole, 1-[(4-methylphenyl)sulfonyl]-3-nitro-
CAS Number: 77451-51-5
Product Number: AG003D46(AGN-PC-0JUYJR)
Synonyms:
MDL No: MFCD00009756
Molecular Formula: C9H8N4O4S
Molecular Weight: 268.2492

Identification/Properties


Properties
MP:
133-135 °C
Storage:
Inert atmosphere;-10 ℃;
Form:
Solid
Computed Properties
Molecular Weight:
268.247g/mol
XLogP3:
1.8
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
6
Rotatable Bond Count:
2
Exact Mass:
268.027g/mol
Monoisotopic Mass:
268.027g/mol
Topological Polar Surface Area:
119A^2
Heavy Atom Count:
18
Formal Charge:
0
Complexity:
407
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


NMR Spectrum


Other Analytical Data


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