Benzoic acid, 2-amino-6-nitro-, methyl ester


Chemical Name: Benzoic acid, 2-amino-6-nitro-, methyl ester
CAS Number: 57113-89-0
Product Number: AG003RN0(AGN-PC-0JTIF2)
Synonyms:
MDL No: MFCD01851258
Molecular Formula: C8H8N2O4
Molecular Weight: 196.1601

Identification/Properties


Properties
MP:
105-107℃(Solv: methanol (67-56-1); water (7732-18-5))
BP:
339.2°C at 760 mmHg
Storage:
Keep in dry area;Room Temperature;
Form:
Solid
Computed Properties
Molecular Weight:
196.162g/mol
XLogP3:
1.5
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
5
Rotatable Bond Count:
2
Exact Mass:
196.048g/mol
Monoisotopic Mass:
196.048g/mol
Topological Polar Surface Area:
98.1A^2
Heavy Atom Count:
14
Formal Charge:
0
Complexity:
238
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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