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Home > Fluorides > 1187168-45-1
1187168-45-1 | 3-(2,6-Difluorobenzoyl)-4-methylpyridine
CAS No: 1187168-45-1 Catalog No: AG01FBV4 MDL No:
Product Description
Catalog Number:
AG01FBV4
Chemical Name:
3-(2,6-Difluorobenzoyl)-4-methylpyridine
CAS Number:
1187168-45-1
Molecular Formula:
C13H9F2NO
Molecular Weight:
233.2135
IUPAC Name:
(2,6-difluorophenyl)-(4-methylpyridin-3-yl)methanone
InChI:
InChI=1S/C13H9F2NO/c1-8-5-6-16-7-9(8)13(17)12-10(14)3-2-4-11(12)15/h2-7H,1H3
InChI Key:
QYSGDMLSXCVRSP-UHFFFAOYSA-N
SMILES:
Cc1ccncc1C(=O)c1c(F)cccc1F
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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