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Home > Fluorides > 1187170-91-7
1187170-91-7 | 3-(3,5-Difluorobenzoyl)-4-methylpyridine
CAS No: 1187170-91-7 Catalog No: AG01FBWG MDL No:
Product Description
Catalog Number:
AG01FBWG
Chemical Name:
3-(3,5-Difluorobenzoyl)-4-methylpyridine
CAS Number:
1187170-91-7
Molecular Formula:
C13H9F2NO
Molecular Weight:
233.2135
IUPAC Name:
(3,5-difluorophenyl)-(4-methylpyridin-3-yl)methanone
InChI:
InChI=1S/C13H9F2NO/c1-8-2-3-16-7-12(8)13(17)9-4-10(14)6-11(15)5-9/h2-7H,1H3
InChI Key:
KYEFRHOYPYOVNS-UHFFFAOYSA-N
SMILES:
Fc1cc(F)cc(c1)C(=O)c1cnccc1C
Properties
Complexity:
275
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
233.065g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
233.218g/mol
Monoisotopic Mass:
233.065g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
30A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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