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1263276-73-8 | 3-Pyridinecarboxylic acid, 6-(2,2,2-trifluoroethoxy)-, ethyl ester
CAS No: 1263276-73-8 Catalog No: AG000SLE MDL No:MFCD18425990
Product Description
Catalog Number:
AG000SLE
Chemical Name:
3-Pyridinecarboxylic acid, 6-(2,2,2-trifluoroethoxy)-, ethyl ester
CAS Number:
1263276-73-8
Molecular Formula:
C10H10F3NO3
Molecular Weight:
249.1865
MDL Number:
MFCD18425990
IUPAC Name:
ethyl 6-(2,2,2-trifluoroethoxy)pyridine-3-carboxylate
InChI:
InChI=1S/C10H10F3NO3/c1-2-16-9(15)7-3-4-8(14-5-7)17-6-10(11,12)13/h3-5H,2,6H2,1H3
InChI Key:
GRXCPNKQZNHQIH-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1ccc(nc1)OCC(F)(F)F
Properties
Complexity:
258
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
249.061g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
249.189g/mol
Monoisotopic Mass:
249.061g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
48.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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