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744261-54-9 | 3-Pyridinecarboxylicacid, 6-(3,4-difluorophenyl)-
CAS No: 744261-54-9 Catalog No: AG005BM3 MDL No:
Product Description
Catalog Number:
AG005BM3
Chemical Name:
3-Pyridinecarboxylicacid, 6-(3,4-difluorophenyl)-
CAS Number:
744261-54-9
Molecular Formula:
C12H7F2NO2
Molecular Weight:
235.1863
IUPAC Name:
6-(3,4-difluorophenyl)pyridine-3-carboxylic acid
InChI:
InChI=1S/C12H7F2NO2/c13-9-3-1-7(5-10(9)14)11-4-2-8(6-15-11)12(16)17/h1-6H,(H,16,17)
InChI Key:
ILDFLSMYQLNOLW-UHFFFAOYSA-N
SMILES:
OC(=O)c1ccc(nc1)c1ccc(c(c1)F)F
Properties
Complexity:
288
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
235.044g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
235.19g/mol
Monoisotopic Mass:
235.044g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
50.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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