Benzoic acid, 4-(methylamino)-3-nitro-, methyl ester


Chemical Name: Benzoic acid, 4-(methylamino)-3-nitro-, methyl ester
CAS Number: 36242-50-9
Product Number: AG00CISQ(AGN-PC-0M2649)
Synonyms:
MDL No:
Molecular Formula: C9H10N2O4
Molecular Weight: 210.1867

Identification/Properties


Computed Properties
Molecular Weight:
210.189g/mol
XLogP3:
2.1
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
5
Rotatable Bond Count:
3
Exact Mass:
210.064g/mol
Monoisotopic Mass:
210.064g/mol
Topological Polar Surface Area:
84.2A^2
Heavy Atom Count:
15
Formal Charge:
0
Complexity:
251
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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