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


Chemical Name: 3-Pyridinecarboxylic acid, 6-chloro-, ethyl ester
CAS Number: 49608-01-7
Product Number: AG003QDI(AGN-PC-0KLAGL)
Synonyms:
MDL No: MFCD00082739
Molecular Formula: C8H8ClNO2
Molecular Weight: 185.6076

Identification/Properties


Properties
MP:
26-30 °C(lit.)
BP:
249.2°C at 760 mmHg
Storage:
Inert atmosphere;Room Temperature;
Form:
Solid
Refractive Index:
1.522
Computed Properties
Molecular Weight:
185.607g/mol
XLogP3:
2.3
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
3
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:
163
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:
H315-H319-H335
Precautionary Statements:
P261-P305+P351+P338
Class:
N/A
Packing Group:
N/A

NMR Spectrum


Other Analytical Data


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