Ethanone, 1-[4-amino-3-chloro-5-(trifluoromethyl)phenyl]-2-bromo-


Chemical Name: Ethanone, 1-[4-amino-3-chloro-5-(trifluoromethyl)phenyl]-2-bromo-
CAS Number: 97760-87-7
Product Number: AG01E978(AGN-PC-00MBK1)
Synonyms:
MDL No:
Molecular Formula: C9H6BrClF3NO
Molecular Weight: 316.5022496

Identification/Properties


Computed Properties
Molecular Weight:
316.502g/mol
XLogP3:
3.2
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
5
Rotatable Bond Count:
2
Exact Mass:
314.927g/mol
Monoisotopic Mass:
314.927g/mol
Topological Polar Surface Area:
43.1A^2
Heavy Atom Count:
16
Formal Charge:
0
Complexity:
274
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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