Benzoic acid, 3-methyl-2-nitro-


Chemical Name: Benzoic acid, 3-methyl-2-nitro-
CAS Number: 5437-38-7
Product Number: AG003JP9(AGN-PC-0403YG)
Synonyms:
MDL No:
Molecular Formula: C8H7NO4
Molecular Weight: 181.1455

Identification/Properties


Properties
MP:
219-223 °C
BP:
339.958 °C at 760 mmHg
Storage:
Keep in dry area;Room Temperature;
Form:
Solid
Refractive Index:
1.5468 (estimate)
Computed Properties
Molecular Weight:
181.147g/mol
XLogP3:
1.6
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
4
Rotatable Bond Count:
1
Exact Mass:
181.038g/mol
Monoisotopic Mass:
181.038g/mol
Topological Polar Surface Area:
83.1A^2
Heavy Atom Count:
13
Formal Charge:
0
Complexity:
223
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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