Benzoic acid, 4-amino-3-nitro-, methyl ester


Chemical Name: Benzoic acid, 4-amino-3-nitro-, methyl ester
CAS Number: 3987-92-6
Product Number: AG0076VI(AGN-PC-0L2KH1)
Synonyms:
MDL No:
Molecular Formula: C8H8N2O4
Molecular Weight: 196.1601

Identification/Properties


Computed Properties
Molecular Weight:
196.162g/mol
XLogP3:
1.1
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

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NMR Spectrum


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