2-Pyridinecarboxylic acid, 4-chloro-6-(hydroxymethyl)-, methyl ester


Chemical Name: 2-Pyridinecarboxylic acid, 4-chloro-6-(hydroxymethyl)-, methyl ester
CAS Number: 109880-43-5
Product Number: AG0084OI(AGN-PC-000CI3)
Synonyms:
MDL No:
Molecular Formula: C8H8ClNO3
Molecular Weight: 201.6070

Identification/Properties


Computed Properties
Molecular Weight:
201.606g/mol
XLogP3:
0.8
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
4
Rotatable Bond Count:
3
Exact Mass:
201.019g/mol
Monoisotopic Mass:
201.019g/mol
Topological Polar Surface Area:
59.4A^2
Heavy Atom Count:
13
Formal Charge:
0
Complexity:
188
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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