1-Propanone, 1-[5-(trichloroacetyl)-1H-pyrrol-3-yl]-


Chemical Name: 1-Propanone, 1-[5-(trichloroacetyl)-1H-pyrrol-3-yl]-
CAS Number: 111468-90-7
Product Number: AG0082AA(AGN-PC-0KKSVF)
Synonyms:
MDL No:
Molecular Formula: C9H8Cl3NO2
Molecular Weight: 268.5243

Identification/Properties


Computed Properties
Molecular Weight:
268.518g/mol
XLogP3:
2.7
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
2
Rotatable Bond Count:
3
Exact Mass:
266.962g/mol
Monoisotopic Mass:
266.962g/mol
Topological Polar Surface Area:
49.9A^2
Heavy Atom Count:
15
Formal Charge:
0
Complexity:
275
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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