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


Chemical Name: Benzoic acid, 4-chloro-3-nitro-, methyl ester
CAS Number: 14719-83-6
Product Number: AG00357J(AGN-PC-0JVO22)
Synonyms:
MDL No: MFCD00016989
Molecular Formula: C8H6ClNO4
Molecular Weight: 215.5905

Identification/Properties


Properties
MP:
80 °C
BP:
313.2°C at 760 mmHg
Storage:
Keep in dry area;Room Temperature;
Form:
Solid
Refractive Index:
1.6000 (estimate)
Computed Properties
Molecular Weight:
215.589g/mol
XLogP3:
2.1
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
4
Rotatable Bond Count:
2
Exact Mass:
214.999g/mol
Monoisotopic Mass:
214.999g/mol
Topological Polar Surface Area:
72.1A^2
Heavy Atom Count:
14
Formal Charge:
0
Complexity:
240
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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