3-Pyridinecarboxylic acid, 5-fluoro-2-methoxy-, methyl ester


Chemical Name: 3-Pyridinecarboxylic acid, 5-fluoro-2-methoxy-, methyl ester
CAS Number: 122433-52-7
Product Number: AG00177U(AGN-PC-002JEA)
Synonyms:
MDL No:
Molecular Formula: C8H8FNO3
Molecular Weight: 185.1524

Identification/Properties


Computed Properties
Molecular Weight:
185.154g/mol
XLogP3:
1.1
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
5
Rotatable Bond Count:
3
Exact Mass:
185.049g/mol
Monoisotopic Mass:
185.049g/mol
Topological Polar Surface Area:
48.4A^2
Heavy Atom Count:
13
Formal Charge:
0
Complexity:
188
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#:
-
Hazard Statements:
H302-H315-H319-H335
Precautionary Statements:
P261-P280-P301+P312-P302+P352-P305+P351+P338
Class:
-
Packing Group:
-

NMR Spectrum


Other Analytical Data


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