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18087-61-1 | 2,2,2-Trifluoro-1-(5-methyl-2-thienyl)ethanone
CAS No: 18087-61-1 Catalog No: AG01F2C9 MDL No:MFCD07380751
Product Description
Catalog Number:
AG01F2C9
Chemical Name:
2,2,2-Trifluoro-1-(5-methyl-2-thienyl)ethanone
CAS Number:
18087-61-1
Molecular Formula:
C7H5F3OS
Molecular Weight:
194.1742
MDL Number:
MFCD07380751
IUPAC Name:
2,2,2-trifluoro-1-(5-methylthiophen-2-yl)ethanone
InChI:
InChI=1S/C7H5F3OS/c1-4-2-3-5(12-4)6(11)7(8,9)10/h2-3H,1H3
InChI Key:
QJVZFJXCNHKJBW-UHFFFAOYSA-N
SMILES:
O=C(C(F)(F)F)c1ccc(s1)C
Properties
Complexity:
190
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:
1
Topological Polar Surface Area:
45.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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