4-Chloro-6-methylnicotinic acid methyl ester


Chemical Name: 4-Chloro-6-methylnicotinic acid methyl ester
CAS Number: 886372-05-0
Product Number: AG00492O(AGN-PC-02XP66)
Synonyms:
MDL No:
Molecular Formula: C8H8ClNO2
Molecular Weight: 185.6076

Identification/Properties


Properties
BP:
242.7 °C at 760 mmHg
Storage:
2-8℃;
Form:
Solid
Computed Properties
Molecular Weight:
185.607g/mol
XLogP3:
1.7
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

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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