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Home > Fluorides > 893738-19-7
893738-19-7 | 5-(2,3,4,5,6-Pentafluorophenyl)nicotinic acid
CAS No: 893738-19-7 Catalog No: AG01EYP1 MDL No:
Product Description
Catalog Number:
AG01EYP1
Chemical Name:
5-(2,3,4,5,6-Pentafluorophenyl)nicotinic acid
CAS Number:
893738-19-7
Molecular Formula:
C12H4F5NO2
Molecular Weight:
289.1577
IUPAC Name:
5-(2,3,4,5,6-pentafluorophenyl)pyridine-3-carboxylic acid
InChI:
InChI=1S/C12H4F5NO2/c13-7-6(8(14)10(16)11(17)9(7)15)4-1-5(12(19)20)3-18-2-4/h1-3H,(H,19,20)
InChI Key:
RKGOJDOIVWALPZ-UHFFFAOYSA-N
SMILES:
OC(=O)c1cncc(c1)c1c(F)c(F)c(c(c1F)F)F
Properties
Complexity:
356
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
289.016g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
289.161g/mol
Monoisotopic Mass:
289.016g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
50.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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