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Home > Fluorides > 1094313-20-8
1094313-20-8 | 3',4'-Difluoro-3-methylbutyrophenone
CAS No: 1094313-20-8 Catalog No: AG01FDB0 MDL No:
Product Description
Catalog Number:
AG01FDB0
Chemical Name:
3',4'-Difluoro-3-methylbutyrophenone
CAS Number:
1094313-20-8
Molecular Formula:
C11H12F2O
Molecular Weight:
198.2092
IUPAC Name:
1-(3,4-difluorophenyl)-3-methylbutan-1-one
InChI:
InChI=1S/C11H12F2O/c1-7(2)5-11(14)8-3-4-9(12)10(13)6-8/h3-4,6-7H,5H2,1-2H3
InChI Key:
JUZCLFOFNPKETH-UHFFFAOYSA-N
SMILES:
CC(CC(=O)c1ccc(c(c1)F)F)C
Properties
Complexity:
204
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
198.086g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
198.213g/mol
Monoisotopic Mass:
198.086g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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