Home Carboxys 2-Pyridinecarboxylic acid, 4-(trifluoromethyl)-, ethyl ester

2-Pyridinecarboxylic acid, 4-(trifluoromethyl)-, ethyl ester

CAS No.:
1171919-08-6
Catalog Number:
AG000DW3
Molecular Formula:
C9H8F3NO2
Molecular Weight:
219.1605
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Product Description
Catalog Number:
AG000DW3
Chemical Name:
2-Pyridinecarboxylic acid, 4-(trifluoromethyl)-, ethyl ester
CAS Number:
1171919-08-6
Molecular Formula:
C9H8F3NO2
Molecular Weight:
219.1605
MDL Number:
MFCD12498713
IUPAC Name:
ethyl 4-(trifluoromethyl)pyridine-2-carboxylate
InChI:
InChI=1S/C9H8F3NO2/c1-2-15-8(14)7-5-6(3-4-13-7)9(10,11)12/h3-5H,2H2,1H3
InChI Key:
VHYPHUNCCISTMT-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1nccc(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:
2.3  
Properties