Benzoic acid, 3-methoxy-2-nitro-


Chemical Name: Benzoic acid, 3-methoxy-2-nitro-
CAS Number: 4920-80-3
Product Number: AG003JMR(AGN-PC-0JLRHX)
Synonyms:
MDL No:
Molecular Formula: C8H7NO5
Molecular Weight: 197.1449

Identification/Properties


Properties
MP:
253-257 °C(lit.)
BP:
388.2°C at 760 mmHg
Storage:
Keep in dry area;Room Temperature;
Form:
Solid
Refractive Index:
1.5700 (estimate)
Computed Properties
Molecular Weight:
197.146g/mol
XLogP3:
1.6
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
5
Rotatable Bond Count:
2
Exact Mass:
197.032g/mol
Monoisotopic Mass:
197.032g/mol
Topological Polar Surface Area:
92.4A^2
Heavy Atom Count:
14
Formal Charge:
0
Complexity:
236
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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