Ethanone, 1-[4-amino-3-chloro-5-(trifluoromethyl)phenyl]-


Chemical Name: Ethanone, 1-[4-amino-3-chloro-5-(trifluoromethyl)phenyl]-
CAS Number: 97760-76-4
Product Number: AG00IJZA(AGN-PC-00MBJW)
Synonyms:
MDL No:
Molecular Formula: C9H7ClF3NO
Molecular Weight: 237.6062

Identification/Properties


Computed Properties
Molecular Weight:
237.606g/mol
XLogP3:
2.4
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
5
Rotatable Bond Count:
1
Exact Mass:
237.017g/mol
Monoisotopic Mass:
237.017g/mol
Topological Polar Surface Area:
43.1A^2
Heavy Atom Count:
15
Formal Charge:
0
Complexity:
256
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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