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1443349-10-7 | 4'-Fluoro-3',5'-dimethylbutyrophenone
CAS No: 1443349-10-7 Catalog No: AG01FD7B MDL No:
Product Description
Catalog Number:
AG01FD7B
Chemical Name:
4'-Fluoro-3',5'-dimethylbutyrophenone
CAS Number:
1443349-10-7
Molecular Formula:
C12H15FO
Molecular Weight:
194.2453
IUPAC Name:
1-(4-fluoro-3,5-dimethylphenyl)butan-1-one
InChI:
InChI=1S/C12H15FO/c1-4-5-11(14)10-6-8(2)12(13)9(3)7-10/h6-7H,4-5H2,1-3H3
InChI Key:
PKXSYHXVRNRIQX-UHFFFAOYSA-N
SMILES:
CCCC(=O)c1cc(C)c(c(c1)C)F
Properties
Complexity:
191
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
194.111g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
194.249g/mol
Monoisotopic Mass:
194.111g/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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