1H-Benzotriazole, 4-nitro-


Chemical Name: 1H-Benzotriazole, 4-nitro-
CAS Number: 6299-39-4
Product Number: AG00EDT7(AGN-PC-0ODYWP)
Synonyms:
MDL No:
Molecular Formula: C6H4N4O2
Molecular Weight: 164.1216

Identification/Properties


Properties
BP:
392.7°C at 760 mmHg
Storage:
Inert atmosphere;Room Temperature;
Form:
Solid
Computed Properties
Molecular Weight:
164.124g/mol
XLogP3:
0.9
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
4
Rotatable Bond Count:
0
Exact Mass:
164.033g/mol
Monoisotopic Mass:
164.033g/mol
Topological Polar Surface Area:
87.4A^2
Heavy Atom Count:
12
Formal Charge:
0
Complexity:
193
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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