Benzoic acid, 2-methyl-3,5-dinitro-


Chemical Name: Benzoic acid, 2-methyl-3,5-dinitro-
CAS Number: 28169-46-2
Product Number: AG00IKFH(AGN-PC-0JM392)
Synonyms:
MDL No:
Molecular Formula: C8H6N2O6
Molecular Weight: 226.1430

Identification/Properties


Properties
MP:
205-207 °C(lit.)
BP:
367.74°C (rough estimate)
Storage:
2-8℃;Keep in dry area;
Form:
Solid
Refractive Index:
1.6000 (estimate)
Computed Properties
Molecular Weight:
226.144g/mol
XLogP3:
1.5
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
6
Rotatable Bond Count:
1
Exact Mass:
226.023g/mol
Monoisotopic Mass:
226.023g/mol
Topological Polar Surface Area:
129A^2
Heavy Atom Count:
16
Formal Charge:
0
Complexity:
320
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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