2-(3-Benzooxazol-2-yl-phenyl)-1,3-dioxo-2,3-dihydro-1h-isoindole-5-carboxylic acid

Base Information

• Chemical Name: 2-(3-Benzooxazol-2-yl-phenyl)-1,3-dioxo-2,3-dihydro-1h-isoindole-5-carboxylic acid
• CAS No.: 314038-76-1
• Molecular Formula: C22H12N2O5
• DSSTox Substance ID: DTXSID80361525
• Wikidata: Q82143868
• ChEMBL ID: CHEMBL109482
• Mol file: 314038-76-1.mol

Synonyms:2-(3-benzooxazol-2-yl-phenyl)-1,3-dioxo-2,3-dihydro-1h-isoindole-5-carboxylic acid;314038-76-1;CHEMBL109482;2-(3-(benzo[d]oxazol-2-yl)phenyl)-1,3-dioxoisoindoline-5-carboxylic acid;2-(3-Benzooxazol-2-ylphenyl)-1,3-dioxo-2,3-dihydro-1H-isoindole-5-carboxylic acid;2-[3-(1,3-benzoxazol-2-yl)phenyl]-1,3-dioxoisoindole-5-carboxylic acid;Oprea1_079276;Oprea1_291147;SCHEMBL5835019;DTXSID80361525;BDBM50147526;STK295791;AKOS003239682;AB00096032-01;SR-01000219222;SR-01000219222-1;2-(3-Benzooxazol-2-yl-phenyl)-1,3-dioxo-indan-5-carboxylic acid;2-[3-(1,3-benzoxazol-2-yl)phenyl]-1,3-dioxo-2,3-dihydro-1H-isoindole-5-carboxylic acid;2-[3-(benzoxazol-2-yl)phenyl]-2,3-dihydro-1,3-dioxo-1h-isoindole-5-carboxylic acid

Chemical Property of 2-(3-Benzooxazol-2-yl-phenyl)-1,3-dioxo-2,3-dihydro-1h-isoindole-5-carboxylic acid

Chemical Property:

• XLogP3: 3.5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 3
• Exact Mass: 384.07462149
• Heavy Atom Count: 29
• Complexity: 697

Purity/Quality:

98%min ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C2C(=C1)N=C(O2)C3=CC(=CC=C3)N4C(=O)C5=C(C4=O)C=C(C=C5)C(=O)O

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