2-Pyridinecarboxylic acid, 3-chloro-, methyl ester


Chemical Name: 2-Pyridinecarboxylic acid, 3-chloro-, methyl ester
CAS Number: 116383-98-3
Product Number: AG000CDD(AGN-PC-00OVXG)
Synonyms:
MDL No: MFCD09750958
Molecular Formula: C7H6ClNO2
Molecular Weight: 171.5810

Identification/Properties


Computed Properties
Molecular Weight:
171.58g/mol
XLogP3:
1.7
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
2
Exact Mass:
171.009g/mol
Monoisotopic Mass:
171.009g/mol
Topological Polar Surface Area:
39.2A^2
Heavy Atom Count:
11
Formal Charge:
0
Complexity:
151
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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