N-[4-bromo-3-(trifluoromethyl)phenyl]-2,2,2-trifluoroacetamide


Chemical Name: N-[4-bromo-3-(trifluoromethyl)phenyl]-2,2,2-trifluoroacetamide
CAS Number: 156425-50-2
Product Number: AG00B92V(AGN-PC-0253FJ)
Synonyms:
MDL No:
Molecular Formula: C9H4BrF6NO
Molecular Weight: 336.0286

Identification/Properties


Computed Properties
Molecular Weight:
336.031g/mol
XLogP3:
4.5
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
7
Rotatable Bond Count:
1
Exact Mass:
334.938g/mol
Monoisotopic Mass:
334.938g/mol
Topological Polar Surface Area:
29.1A^2
Heavy Atom Count:
18
Formal Charge:
0
Complexity:
315
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


GHS Pictogram:
N/A
Signal Word:
UN#:
-
Hazard Statements:
-
Precautionary Statements:
Class:
-
Packing Group:
-

NMR Spectrum


Other Analytical Data


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