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Home > Fluorides > 144128-67-6
144128-67-6 | 1,3-Cyclohexanedione, 5-[3-(trifluoroMethyl)phenyl]-
CAS No: 144128-67-6 Catalog No: AG001IZB MDL No:MFCD00111873
Product Description
Catalog Number:
AG001IZB
Chemical Name:
1,3-Cyclohexanedione, 5-[3-(trifluoroMethyl)phenyl]-
CAS Number:
144128-67-6
Molecular Formula:
C13H11F3O2
Molecular Weight:
256.2204
MDL Number:
MFCD00111873
IUPAC Name:
5-[3-(trifluoromethyl)phenyl]cyclohexane-1,3-dione
InChI:
InChI=1S/C13H11F3O2/c14-13(15,16)10-3-1-2-8(4-10)9-5-11(17)7-12(18)6-9/h1-4,9H,5-7H2
InChI Key:
FWTLOIJYBHLVCC-UHFFFAOYSA-N
SMILES:
O=C1CC(=O)CC(C1)c1cccc(c1)C(F)(F)F
Properties
Complexity:
333
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
256.071g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
256.224g/mol
Monoisotopic Mass:
256.071g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
34.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
Literature
| Title | Journal |
|---|---|
| Cyclohexane 1,3-diones and their inhibition of mutant SOD1-dependent protein aggregation and toxicity in PC12 cells. | Bioorganic & medicinal chemistry 20120115 |
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