1-(3,5-Dichloro-4-fluoro-phenyl)-2,2,2-trifluoroethanone


Chemical Name: 1-(3,5-Dichloro-4-fluoro-phenyl)-2,2,2-trifluoroethanone
CAS Number: 1190865-44-1
Product Number: AG000I51(AGN-PC-0WAKKD)
Synonyms:
MDL No:
Molecular Formula: C8H2Cl2F4O
Molecular Weight: 261.0005

Identification/Properties


Computed Properties
Molecular Weight:
260.997g/mol
XLogP3:
4.1
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
5
Rotatable Bond Count:
1
Exact Mass:
259.942g/mol
Monoisotopic Mass:
259.942g/mol
Topological Polar Surface Area:
17.1A^2
Heavy Atom Count:
15
Formal Charge:
0
Complexity:
244
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:
Signal Word:
Warning
UN#:
N/A
Hazard Statements:
H302-H315-H319-H335
Precautionary Statements:
P261-P305+P351+P338
Class:
N/A
Packing Group:
N/A

NMR Spectrum


Other Analytical Data


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