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Home > Fluorides > 165328-11-0
165328-11-0 | 1,3-Butanedione, 4,4-difluoro-1-(4-methylphenyl)-
CAS No: 165328-11-0 Catalog No: AG001W2Q MDL No:MFCD03419779
Product Description
Catalog Number:
AG001W2Q
Chemical Name:
1,3-Butanedione, 4,4-difluoro-1-(4-methylphenyl)-
CAS Number:
165328-11-0
Molecular Formula:
C11H10F2O2
Molecular Weight:
212.1927
MDL Number:
MFCD03419779
IUPAC Name:
4,4-difluoro-1-(4-methylphenyl)butane-1,3-dione
InChI:
InChI=1S/C11H10F2O2/c1-7-2-4-8(5-3-7)9(14)6-10(15)11(12)13/h2-5,11H,6H2,1H3
InChI Key:
JPMQITHKRYMPHA-UHFFFAOYSA-N
SMILES:
FC(C(=O)CC(=O)c1ccc(cc1)C)F
Properties
Complexity:
243
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
212.065g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
212.196g/mol
Monoisotopic Mass:
212.065g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
34.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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