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1187171-26-1 | 3-(Pentafluorobenzoyl)pyridine
CAS No: 1187171-26-1 Catalog No: AG01FF03 MDL No:
Product Description
Catalog Number:
AG01FF03
Chemical Name:
3-(Pentafluorobenzoyl)pyridine
CAS Number:
1187171-26-1
Molecular Formula:
C12H4F5NO
Molecular Weight:
273.1583
IUPAC Name:
(2,3,4,5,6-pentafluorophenyl)-pyridin-3-ylmethanone
InChI:
InChI=1S/C12H4F5NO/c13-7-6(8(14)10(16)11(17)9(7)15)12(19)5-2-1-3-18-4-5/h1-4H
InChI Key:
XYXOWWZDZVIJNU-UHFFFAOYSA-N
SMILES:
O=C(c1c(F)c(F)c(c(c1F)F)F)c1cccnc1
Properties
Complexity:
326
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
273.021g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
273.162g/mol
Monoisotopic Mass:
273.021g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
30A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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