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Home > Fluorides > 163266-02-2
163266-02-2 | 1,3-Butanedione, 4,4,4-trifluoro-1-(2-methylphenyl)-
CAS No: 163266-02-2 Catalog No: AG001TYY MDL No:MFCD03420671
Product Description
Catalog Number:
AG001TYY
Chemical Name:
1,3-Butanedione, 4,4,4-trifluoro-1-(2-methylphenyl)-
CAS Number:
163266-02-2
Molecular Formula:
C11H9F3O2
Molecular Weight:
230.1832
MDL Number:
MFCD03420671
IUPAC Name:
4,4,4-trifluoro-1-(2-methylphenyl)butane-1,3-dione
InChI:
InChI=1S/C11H9F3O2/c1-7-4-2-3-5-8(7)9(15)6-10(16)11(12,13)14/h2-5H,6H2,1H3
InChI Key:
NSWJGKUEKYWEEF-UHFFFAOYSA-N
SMILES:
O=C(C(F)(F)F)CC(=O)c1ccccc1C
Properties
Complexity:
283
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
230.055g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
230.186g/mol
Monoisotopic Mass:
230.055g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
34.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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