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


Chemical Name: Benzoic acid, 4-(methylamino)-3-nitro-, ethyl ester
CAS Number: 71254-71-2
Product Number: AG00FCB3(AGN-PC-0NJ5XJ)
Synonyms:
MDL No:
Molecular Formula: C10H12N2O4
Molecular Weight: 224.2133

Identification/Properties


Computed Properties
Molecular Weight:
224.216g/mol
XLogP3:
2.5
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
5
Rotatable Bond Count:
4
Exact Mass:
224.08g/mol
Monoisotopic Mass:
224.08g/mol
Topological Polar Surface Area:
84.2A^2
Heavy Atom Count:
16
Formal Charge:
0
Complexity:
264
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:
H302-H315-H319-H332-H335
Precautionary Statements:
P261-P280-P305+P351+P338
Class:
N/A
Packing Group:
N/A

NMR Spectrum


Other Analytical Data


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