3-Pyridinecarboxylic acid, 2-chloro-4,6-dimethyl-


Chemical Name: 3-Pyridinecarboxylic acid, 2-chloro-4,6-dimethyl-
CAS Number: 66662-48-4
Product Number: AG003GWU(AGN-PC-0JTF3T)
Synonyms:
MDL No: MFCD02110082
Molecular Formula: C8H8ClNO2
Molecular Weight: 185.6076

Identification/Properties


Properties
MP:
139-140℃(Solv: ethyl acetate (141-78-6))
BP:
342.3°C at 760 mmHg
Storage:
2-8℃;
Form:
Solid
Computed Properties
Molecular Weight:
185.607g/mol
XLogP3:
2.1
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
1
Exact Mass:
185.024g/mol
Monoisotopic Mass:
185.024g/mol
Topological Polar Surface Area:
50.2A^2
Heavy Atom Count:
12
Formal Charge:
0
Complexity:
186
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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