Benzoic acid, 2-methyl-6-nitro-


Chemical Name: Benzoic acid, 2-methyl-6-nitro-
CAS Number: 13506-76-8
Product Number: AG003HO2(AGN-PC-0JKCOJ)
Synonyms:
MDL No:
Molecular Formula: C8H7NO4
Molecular Weight: 181.1455

Identification/Properties


Properties
MP:
153-157 °C(lit.)
BP:
352.8 °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:
0.8
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


GHS Pictogram:
Signal Word:
Warning
UN#:
N/A
Hazard Statements:
H315-H319-H335
Precautionary Statements:
P261-P305+P351+P338
Class:
N/A
Packing Group:
N/A

NMR Spectrum


Other Analytical Data


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