Ethanone, 2,2,2-trifluoro-1-(1H-pyrrol-2-yl)-


Chemical Name: Ethanone, 2,2,2-trifluoro-1-(1H-pyrrol-2-yl)-
CAS Number: 2557-70-2
Product Number: AG00BC2Z(AGN-PC-03FSXC)
Synonyms:
MDL No:
Molecular Formula: C6H4F3NO
Molecular Weight: 163.0973

Identification/Properties


Computed Properties
Molecular Weight:
163.099g/mol
XLogP3:
2
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
4
Rotatable Bond Count:
1
Exact Mass:
163.024g/mol
Monoisotopic Mass:
163.024g/mol
Topological Polar Surface Area:
32.9A^2
Heavy Atom Count:
11
Formal Charge:
0
Complexity:
166
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:
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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