(2E)-4-[1-methyl-5-(2,2,2-trichloroacetyl)-1H-pyrrol-3-yl]-4-oxobut-2-enoic acid

Base Information

• Chemical Name: (2E)-4-[1-methyl-5-(2,2,2-trichloroacetyl)-1H-pyrrol-3-yl]-4-oxobut-2-enoic acid
• CAS No.: 338395-79-2
• Molecular Formula: C11H8Cl3NO4
• Molecular Weight: 324.5
• Mol file: 338395-79-2.mol

Synonyms:338395-79-2;(2E)-4-[1-methyl-5-(2,2,2-trichloroacetyl)-1H-pyrrol-3-yl]-4-oxobut-2-enoic acid;4-[1-methyl-5-(2,2,2-trichloroacetyl)-1H-pyrrol-3-yl]-4-oxo-2-butenoic acid;MFCD00141859;AKOS005084554;(E)-4-[1-methyl-5-(2,2,2-trichloroacetyl)pyrrol-3-yl]-4-oxobut-2-enoic acid;2F-075;(2E)-4-[1-methyl-5-(2,2,2-trichloroacetyl)-1H-pyrrol-3-yl]-4-oxobut-2-enoicacid

Chemical Property of (2E)-4-[1-methyl-5-(2,2,2-trichloroacetyl)-1H-pyrrol-3-yl]-4-oxobut-2-enoic acid

Chemical Property:

• XLogP3: 2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 4
• Exact Mass: 322.951891
• Heavy Atom Count: 19
• Complexity: 430

Purity/Quality:

95%-98% ^*data from raw suppliers

4-[1-Methyl-5-(2,2,2-trichloroacetyl)-1H-pyrrol-3-yl]-4-oxo-2-butenoic acid ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
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MSDS Files:

Useful:

• Canonical SMILES: CN1C=C(C=C1C(=O)C(Cl)(Cl)Cl)C(=O)C=CC(=O)O
• Isomeric SMILES: CN1C=C(C=C1C(=O)C(Cl)(Cl)Cl)C(=O)/C=C/C(=O)O