3-Pyridinecarboxylic acid, 2-chloro-6-methyl-, methyl ester


Chemical Name: 3-Pyridinecarboxylic acid, 2-chloro-6-methyl-, methyl ester
CAS Number: 53277-47-7
Product Number: AG00D8YA(AGN-PC-00KNX1)
Synonyms:
MDL No:
Molecular Formula: C8H8ClNO2
Molecular Weight: 185.6076

Identification/Properties


Computed Properties
Molecular Weight:
185.607g/mol
XLogP3:
2.1
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
2
Exact Mass:
185.024g/mol
Monoisotopic Mass:
185.024g/mol
Topological Polar Surface Area:
39.2A^2
Heavy Atom Count:
12
Formal Charge:
0
Complexity:
174
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


Other Analytical Data


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