3-Pyridinecarboxylic acid, 4-chloro-, ethyl ester, hydrochloride (1:1)


Chemical Name: 3-Pyridinecarboxylic acid, 4-chloro-, ethyl ester, hydrochloride (1:1)
CAS Number: 174496-99-2
Product Number: AG001ZP4(AGN-PC-07CSXM)
Synonyms:
MDL No:
Molecular Formula: C8H9Cl2NO2
Molecular Weight: 222.0686

Identification/Properties


Computed Properties
Molecular Weight:
222.065g/mol
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
3
Exact Mass:
221.001g/mol
Monoisotopic Mass:
221.001g/mol
Topological Polar Surface Area:
39.2A^2
Heavy Atom Count:
13
Formal Charge:
0
Complexity:
163
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:
2
Compound Is Canonicalized:
Yes

Safety Information


NMR Spectrum


Other Analytical Data


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