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14529-33-0 | 2-Propanone, 1,1,1-trifluoro-3-(2-thienyl)-
CAS No: 14529-33-0 Catalog No: AG001KR5 MDL No:
Product Description
Catalog Number:
AG001KR5
Chemical Name:
2-Propanone, 1,1,1-trifluoro-3-(2-thienyl)-
CAS Number:
14529-33-0
Molecular Formula:
C7H5F3OS
Molecular Weight:
194.1742
IUPAC Name:
1,1,1-trifluoro-3-thiophen-2-ylpropan-2-one
InChI:
InChI=1S/C7H5F3OS/c8-7(9,10)6(11)4-5-2-1-3-12-5/h1-3H,4H2
InChI Key:
NBKNXYCQJHKJEU-UHFFFAOYSA-N
SMILES:
O=C(C(F)(F)F)Cc1cccs1
EC Number:
238-552-1
Properties
Complexity:
178
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
194.001g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
194.171g/mol
Monoisotopic Mass:
194.001g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
45.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
Literature
| Title | Journal |
|---|---|
| [Study on the Eu-containing coordination polymer. I. Structural characterization of Eu (III)-thienyltrifluroacetone-poly (styrene-acrylic acid)]. | Guang pu xue yu guang pu fen xi = Guang pu 20040601 |
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