3-Pyridinecarboxylic acid, 6-(trifluoromethyl)-, ethyl ester


Chemical Name: 3-Pyridinecarboxylic acid, 6-(trifluoromethyl)-, ethyl ester
CAS Number: 597532-36-0
Product Number: AG003QD0(AGN-PC-0085F6)
Synonyms:
MDL No: MFCD04972865
Molecular Formula: C9H8F3NO2
Molecular Weight: 219.1605

Identification/Properties


Properties
BP:
229°C at 760 mmHg
Storage:
Keep in dry area;Room Temperature;
Form:
Liquid
Refractive Index:
1.4460
Computed Properties
Molecular Weight:
219.163g/mol
XLogP3:
2
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


NMR Spectrum


Other Analytical Data


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