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Home > Fluorides > 1187171-19-2
1187171-19-2 | 2-Methyl-5-(pentafluorobenzoyl)pyridine
CAS No: 1187171-19-2 Catalog No: AG01FC7V MDL No:
Product Description
Catalog Number:
AG01FC7V
Chemical Name:
2-Methyl-5-(pentafluorobenzoyl)pyridine
CAS Number:
1187171-19-2
Molecular Formula:
C13H6F5NO
Molecular Weight:
287.1849
IUPAC Name:
(6-methylpyridin-3-yl)-(2,3,4,5,6-pentafluorophenyl)methanone
InChI:
InChI=1S/C13H6F5NO/c1-5-2-3-6(4-19-5)13(20)7-8(14)10(16)12(18)11(17)9(7)15/h2-4H,1H3
InChI Key:
XPXSHQJKWBGTDC-UHFFFAOYSA-N
SMILES:
Cc1ccc(cn1)C(=O)c1c(F)c(F)c(c(c1F)F)F
Properties
Complexity:
353
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
287.037g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
287.189g/mol
Monoisotopic Mass:
287.037g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
30A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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