Benzoic acid, 3,4-dinitro-


Chemical Name: Benzoic acid, 3,4-dinitro-
CAS Number: 528-45-0
Product Number: AG003IIZ(AGN-PC-0JK9NY)
Synonyms:
MDL No:
Molecular Formula: C7H4N2O6
Molecular Weight: 212.1165

Identification/Properties


Properties
MP:
163-166 °C
BP:
459°C at 760 mmHg
Storage:
Keep in dry area;Room Temperature;
Form:
Solid
Refractive Index:
1.5300 (estimate)
Computed Properties
Molecular Weight:
212.117g/mol
XLogP3:
1.1
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
6
Rotatable Bond Count:
1
Exact Mass:
212.007g/mol
Monoisotopic Mass:
212.007g/mol
Topological Polar Surface Area:
129A^2
Heavy Atom Count:
15
Formal Charge:
0
Complexity:
293
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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