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


Chemical Name: 3-Pyridinecarboxylic acid, 6-chloro-, methyl ester
CAS Number: 73781-91-6
Product Number: AG003RYF(AGN-PC-0JNS17)
Synonyms:
MDL No: MFCD00023420
Molecular Formula: C7H6ClNO2
Molecular Weight: 171.5810

Identification/Properties


Properties
MP:
86-90 °C
BP:
231.8 °C at 760 mmHg
Storage:
Inert atmosphere;Room Temperature;
Form:
Solid
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

Safety Information


GHS Pictogram:
Signal Word:
Warning
UN#:
N/A
Hazard Statements:
H317-H319
Precautionary Statements:
P280-P305+P351+P338
Class:
N/A
Packing Group:
N/A

NMR Spectrum


Other Analytical Data


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