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Home > Fluorides > 1187164-94-8
1187164-94-8 | 2-Methyl-4-(3,4,5-trifluorobenzoyl)pyridine
CAS No: 1187164-94-8 Catalog No: AG01FAUI MDL No:
Product Description
Catalog Number:
AG01FAUI
Chemical Name:
2-Methyl-4-(3,4,5-trifluorobenzoyl)pyridine
CAS Number:
1187164-94-8
Molecular Formula:
C13H8F3NO
Molecular Weight:
251.2039
IUPAC Name:
(2-methylpyridin-4-yl)-(3,4,5-trifluorophenyl)methanone
InChI:
InChI=1S/C13H8F3NO/c1-7-4-8(2-3-17-7)13(18)9-5-10(14)12(16)11(15)6-9/h2-6H,1H3
InChI Key:
YFEUGJBAJRGKTN-UHFFFAOYSA-N
SMILES:
Cc1nccc(c1)C(=O)c1cc(F)c(c(c1)F)F
Properties
Complexity:
301
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
251.056g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
251.208g/mol
Monoisotopic Mass:
251.056g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
30A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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