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651-70-7 | 2,2,2-Trifluoro-1-(thiophen-2-yl)ethanone
CAS No: 651-70-7 Catalog No: AG003F57 MDL No:MFCD00041427
Product Description
Catalog Number:
AG003F57
Chemical Name:
2,2,2-Trifluoro-1-(thiophen-2-yl)ethanone
CAS Number:
651-70-7
Molecular Formula:
C6H3F3OS
Molecular Weight:
180.1476
MDL Number:
MFCD00041427
IUPAC Name:
2,2,2-trifluoro-1-thiophen-2-ylethanone
InChI:
InChI=1S/C6H3F3OS/c7-6(8,9)5(10)4-2-1-3-11-4/h1-3H
InChI Key:
CZYKJGCKVBXLGF-UHFFFAOYSA-N
SMILES:
O=C(C(F)(F)F)c1cccs1
Properties
Complexity:
166
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
179.986g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
180.144g/mol
Monoisotopic Mass:
179.986g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
45.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
Literature
| Title | Journal |
|---|---|
| 2-Trifluoroacetylthiophene oxadiazoles as potent and selective class II human histone deacetylase inhibitors. | Bioorganic & medicinal chemistry letters 20081201 |
| Prediction of genotoxicity of chemical compounds by statistical learning methods. | Chemical research in toxicology 20050601 |
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