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Home > Fluorides > 1250543-53-3
1250543-53-3 | 3,6'-Dimethyl-3'-fluorobutyrophenone
CAS No: 1250543-53-3 Catalog No: AG01FDGI MDL No:
Product Description
Catalog Number:
AG01FDGI
Chemical Name:
3,6'-Dimethyl-3'-fluorobutyrophenone
CAS Number:
1250543-53-3
Molecular Formula:
C12H15FO
Molecular Weight:
194.2453
IUPAC Name:
1-(5-fluoro-2-methylphenyl)-3-methylbutan-1-one
InChI:
InChI=1S/C12H15FO/c1-8(2)6-12(14)11-7-10(13)5-4-9(11)3/h4-5,7-8H,6H2,1-3H3
InChI Key:
BIDJCTFXDISEAE-UHFFFAOYSA-N
SMILES:
CC(CC(=O)c1cc(F)ccc1C)C
Properties
Complexity:
201
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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