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207994-07-8 | 2-Pyridinecarboxylic acid, 3-fluoro-5-(trifluoromethyl)-, ethyl ester
CAS No: 207994-07-8 Catalog No: AG002JEN MDL No:MFCD20226651
Product Description
Catalog Number:
AG002JEN
Chemical Name:
2-Pyridinecarboxylic acid, 3-fluoro-5-(trifluoromethyl)-, ethyl ester
CAS Number:
207994-07-8
Molecular Formula:
C9H7F4NO2
Molecular Weight:
237.1510
MDL Number:
MFCD20226651
IUPAC Name:
ethyl 3-fluoro-5-(trifluoromethyl)pyridine-2-carboxylate
InChI:
InChI=1S/C9H7F4NO2/c1-2-16-8(15)7-6(10)3-5(4-14-7)9(11,12)13/h3-4H,2H2,1H3
InChI Key:
AUJDIPFEXRFVEM-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1ncc(cc1F)C(F)(F)F
Properties
Complexity:
256
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
237.041g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
237.154g/mol
Monoisotopic Mass:
237.041g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
39.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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