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1214351-44-6 | 4-Pyridinecarboxylic acid, 2-(trifluoromethyl)-, ethyl ester
CAS No: 1214351-44-6 Catalog No: AG0014W9 MDL No:MFCD14698298
Product Description
Catalog Number:
AG0014W9
Chemical Name:
4-Pyridinecarboxylic acid, 2-(trifluoromethyl)-, ethyl ester
CAS Number:
1214351-44-6
Molecular Formula:
C9H8F3NO2
Molecular Weight:
219.1605
MDL Number:
MFCD14698298
IUPAC Name:
ethyl 2-(trifluoromethyl)pyridine-4-carboxylate
InChI:
InChI=1S/C9H8F3NO2/c1-2-15-8(14)6-3-4-13-7(5-6)9(10,11)12/h3-5H,2H2,1H3
InChI Key:
DDCHYZRDWLPNRF-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1ccnc(c1)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:
2
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