N-[4-chloro-3-(trifluoromethyl)phenyl]-3-oxobutanamide


Chemical Name: N-[4-chloro-3-(trifluoromethyl)phenyl]-3-oxobutanamide
CAS Number: 392721-37-8
Product Number: AG00CN84(AGN-PC-0JXH1V)
Synonyms:
MDL No:
Molecular Formula: C11H9ClF3NO2
Molecular Weight: 279.6429

Identification/Properties


Computed Properties
Molecular Weight:
279.643g/mol
XLogP3:
3.7
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
5
Rotatable Bond Count:
3
Exact Mass:
279.027g/mol
Monoisotopic Mass:
279.027g/mol
Topological Polar Surface Area:
46.2A^2
Heavy Atom Count:
18
Formal Charge:
0
Complexity:
333
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

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NMR Spectrum


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