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128072-94-6 | 2-Pyridinecarboxylic acid, 5-(trifluoromethyl)-, ethyl ester
CAS No: 128072-94-6 Catalog No: AG000XQ2 MDL No:MFCD11100197
Product Description
Catalog Number:
AG000XQ2
Chemical Name:
2-Pyridinecarboxylic acid, 5-(trifluoromethyl)-, ethyl ester
CAS Number:
128072-94-6
Molecular Formula:
C9H8F3NO2
Molecular Weight:
219.1605
MDL Number:
MFCD11100197
IUPAC Name:
ethyl 5-(trifluoromethyl)pyridine-2-carboxylate
InChI:
InChI=1S/C9H8F3NO2/c1-2-15-8(14)7-4-3-6(5-13-7)9(10,11)12/h3-5H,2H2,1H3
InChI Key:
KCMOTZFSBYHKCI-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1ccc(cn1)C(F)(F)F
Properties
Complexity:
230
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
219.051g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
219.163g/mol
Monoisotopic Mass:
219.051g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
39.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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