2-Thenoyltrifluoroacetone


Chemical Name: 2-Thenoyltrifluoroacetone
CAS Number: 326-91-0
Product Number: AG00I66R(AGN-PC-0WA74Q)
Synonyms:
MDL No:
Molecular Formula: C8H5F3O2S
Molecular Weight: 222.1843096

Identification/Properties


Properties
MP:
40-44 °C(lit.)
BP:
227.5°C at 760 mmHg
Storage:
Keep in dry area;Room Temperature;
Form:
Solid
Computed Properties
Molecular Weight:
222.181g/mol
XLogP3:
2.2
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
6
Rotatable Bond Count:
3
Exact Mass:
221.996g/mol
Monoisotopic Mass:
221.996g/mol
Topological Polar Surface Area:
62.4A^2
Heavy Atom Count:
14
Formal Charge:
0
Complexity:
250
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

Safety Information


NMR Spectrum


Other Analytical Data


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