6-Phenylisoindolin-1-one

Base Information

• Chemical Name: 6-Phenylisoindolin-1-one
• CAS No.: 160450-16-8
• Molecular Formula: C14H11NO
• Molecular Weight: 209.24324
• Hs Code.: 2933790090
• ChEMBL ID: CHEMBL1973795
• DSSTox Substance ID: DTXSID20597866
• Wikidata: Q82493524
• Mol file: 160450-16-8.mol

Synonyms:6-Phenylisoindolin-1-one;160450-16-8;1H-Isoindol-1-one, 2,3-dihydro-6-phenyl-;6-Phenyl-2,3-dihydro-1H-isoindol-1-one;6-PHENYL-2,3-DIHYDROISOINDOL-1-ONE;Kinome_1187;2,3-Dihydro-6-phenyl-1H-isoindol-1-one;SCHEMBL8723086;CHEMBL1973795;DTXSID20597866;AKOS016006396;DB-364345;CS-0361052;F18373;A883205

Chemical Property of 6-Phenylisoindolin-1-one

Chemical Property:

• Boiling Point: 485.7±45.0 °C(Predicted)
• PKA: 13.95±0.20(Predicted)
• PSA: 32.59000
• Density: 1.186±0.06 g/cm3(Predicted)
• LogP: 2.60740
• Storage Temp.: 2-8°C
• XLogP3: 2.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 209.084063974
• Heavy Atom Count: 16
• Complexity: 270

Purity/Quality:

97% ^*data from raw suppliers

6-Phenylisoindolin-1-one ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1C2=C(C=C(C=C2)C3=CC=CC=C3)C(=O)N1

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