Benzoic acid, 4-chloro-3-nitro-, ethyl ester


Chemical Name: Benzoic acid, 4-chloro-3-nitro-, ethyl ester
CAS Number: 16588-16-2
Product Number: AG001WDV(AGN-PC-0K2UJC)
Synonyms:
MDL No:
Molecular Formula: C9H8ClNO4
Molecular Weight: 229.6171

Identification/Properties


Properties
MP:
57-61 °C
BP:
326.2°C at 760 mmHg
Storage:
Keep in dry area;Room Temperature;
Form:
Solid
Computed Properties
Molecular Weight:
229.616g/mol
XLogP3:
2.5
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
4
Rotatable Bond Count:
3
Exact Mass:
229.014g/mol
Monoisotopic Mass:
229.014g/mol
Topological Polar Surface Area:
72.1A^2
Heavy Atom Count:
15
Formal Charge:
0
Complexity:
253
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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