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1226160-23-1 | 3',5'-Difluoro-3-methylbutyrophenone
CAS No: 1226160-23-1 Catalog No: AG01FDFP MDL No:
Product Description
Catalog Number:
AG01FDFP
Chemical Name:
3',5'-Difluoro-3-methylbutyrophenone
CAS Number:
1226160-23-1
Molecular Formula:
C11H12F2O
Molecular Weight:
198.2092
IUPAC Name:
1-(3,5-difluorophenyl)-3-methylbutan-1-one
InChI:
InChI=1S/C11H12F2O/c1-7(2)3-11(14)8-4-9(12)6-10(13)5-8/h4-7H,3H2,1-2H3
InChI Key:
QPMUJQKVPPQINX-UHFFFAOYSA-N
SMILES:
CC(CC(=O)c1cc(F)cc(c1)F)C
Properties
Complexity:
194
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:
3.1
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