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1229626-86-1 | 3-Pyridinecarboxylic acid, 5-(2,6-difluorophenyl)-, methyl ester
CAS No: 1229626-86-1 Catalog No: AG000JUC MDL No:
Product Description
Catalog Number:
AG000JUC
Chemical Name:
3-Pyridinecarboxylic acid, 5-(2,6-difluorophenyl)-, methyl ester
CAS Number:
1229626-86-1
Molecular Formula:
C13H9F2NO2
Molecular Weight:
249.2129
IUPAC Name:
methyl 5-(2,6-difluorophenyl)pyridine-3-carboxylate
InChI:
InChI=1S/C13H9F2NO2/c1-18-13(17)9-5-8(6-16-7-9)12-10(14)3-2-4-11(12)15/h2-7H,1H3
InChI Key:
ZRCGYAZKBWOSBH-UHFFFAOYSA-N
SMILES:
COC(=O)c1cncc(c1)c1c(F)cccc1F
Properties
Complexity:
291
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
249.06g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
249.217g/mol
Monoisotopic Mass:
249.06g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
39.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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