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Home > Fluorides > 124612-15-3
124612-15-3 | 1,3-Cyclohexanedione, 5-(trifluoromethyl)-
CAS No: 124612-15-3 Catalog No: AG000MGO MDL No:MFCD16616592
Product Description
Catalog Number:
AG000MGO
Chemical Name:
1,3-Cyclohexanedione, 5-(trifluoromethyl)-
CAS Number:
124612-15-3
Molecular Formula:
C7H7F3O2
Molecular Weight:
180.1245
MDL Number:
MFCD16616592
IUPAC Name:
5-(trifluoromethyl)cyclohexane-1,3-dione
InChI:
InChI=1S/C7H7F3O2/c8-7(9,10)4-1-5(11)3-6(12)2-4/h4H,1-3H2
InChI Key:
RECFBOFLRZHLSU-UHFFFAOYSA-N
SMILES:
FC(C1CC(=O)CC(=O)C1)(F)F
Properties
Complexity:
203
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
180.04g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
180.126g/mol
Monoisotopic Mass:
180.04g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
34.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1
Literature
| Title | Journal |
|---|---|
| Novel fluorinated acridone derivatives. Part 1: synthesis and evaluation as potential anticancer agents. | Bioorganic & medicinal chemistry letters 20080715 |
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