ethyl 3-(trifluoromethyl)pyridine-2-carboxylate


Chemical Name: ethyl 3-(trifluoromethyl)pyridine-2-carboxylate
CAS Number: 952182-76-2
Product Number: AG00IIUG(AGN-PC-04HB0N)
Synonyms:
MDL No:
Molecular Formula: C9H8F3NO2
Molecular Weight: 219.1605

Identification/Properties


Computed Properties
Molecular Weight:
219.163g/mol
XLogP3:
2.3
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
6
Rotatable Bond Count:
3
Exact Mass:
219.051g/mol
Monoisotopic Mass:
219.051g/mol
Topological Polar Surface Area:
39.2A^2
Heavy Atom Count:
15
Formal Charge:
0
Complexity:
230
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:
N/A
Signal Word:
UN#:
-
Hazard Statements:
-
Precautionary Statements:
Class:
-
Packing Group:
-

NMR Spectrum


Other Analytical Data


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