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42105-34-0 | 3-(trifluoromethylthio)pentane-2,4-dione
CAS No: 42105-34-0 Catalog No: AG01EVWO MDL No:
Product Description
Catalog Number:
AG01EVWO
Chemical Name:
3-(trifluoromethylthio)pentane-2,4-dione
CAS Number:
42105-34-0
Molecular Formula:
C6H7F3O2S
Molecular Weight:
200.1788
IUPAC Name:
3-(trifluoromethylsulfanyl)pentane-2,4-dione
InChI:
InChI=1S/C6H7F3O2S/c1-3(10)5(4(2)11)12-6(7,8)9/h5H,1-2H3
InChI Key:
VUYWKNBMYHLAQH-UHFFFAOYSA-N
SMILES:
CC(=O)C(C(=O)C)SC(F)(F)F
Properties
Complexity:
186
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
200.012g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
200.175g/mol
Monoisotopic Mass:
200.012g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
59.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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