2-Propenoic acid, 2-(acetylamino)-3-[2-(trifluoromethyl)phenyl]-


Chemical Name: 2-Propenoic acid, 2-(acetylamino)-3-[2-(trifluoromethyl)phenyl]-
CAS Number: 3094-32-4
Product Number: AG0031Q5(AGN-PC-0JV8TI)
Synonyms:
MDL No:
Molecular Formula: C12H10F3NO3
Molecular Weight: 273.2079

Identification/Properties


Computed Properties
Molecular Weight:
273.211g/mol
XLogP3:
2.1
Hydrogen Bond Donor Count:
2
Hydrogen Bond Acceptor Count:
6
Rotatable Bond Count:
3
Exact Mass:
273.061g/mol
Monoisotopic Mass:
273.061g/mol
Topological Polar Surface Area:
66.4A^2
Heavy Atom Count:
19
Formal Charge:
0
Complexity:
390
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

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NMR Spectrum


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