3-(1,3-Benzodioxol-5-ylamino)-1(3H)-isobenzofuranone

Base Information

• Chemical Name: 3-(1,3-Benzodioxol-5-ylamino)-1(3H)-isobenzofuranone
• CAS No.: 64179-19-7
• Molecular Formula: C15H11 N O4
• Molecular Weight: 269.2521
• DSSTox Substance ID: DTXSID30982683
• Pharos Ligand ID: 9X5WMYH2CDUF
• ChEMBL ID: CHEMBL1518540
• Mol file: 64179-19-7.mol

Synonyms:MLS000075938;SMR000013514;64179-19-7;3-(Benzo[1,3]dioxol-5-ylamino)-3H-isobenzofuran-1-one;3-(1,3-Benzodioxol-5-ylamino)-1(3H)-isobenzofuranone;3-(1,3-benzodioxol-5-ylamino)-3H-2-benzofuran-1-one;1(3H)-Isobenzofuranone, 3-(1,3-benzodioxol-5-ylamino)-;Opera_ID_1720;MLS002539308;cid_652596;CHEMBL1518540;BDBM48315;DTXSID30982683;HMS2341A17;STK878287;AKOS000607484;AKOS022095164;3-(1,3-benzodioxol-5-ylamino)phthalide;SR-01000365412;SR-01000365412-1;3-(1,3-benzodioxol-5-ylamino)-2-benzofuran-1(3H)-one;3-(1,3-benzodioxol-5-ylamino)-3H-isobenzofuran-1-one;3-[(2H-1,3-Benzodioxol-5-yl)amino]-2-benzofuran-1(3H)-one

Chemical Property of 3-(1,3-Benzodioxol-5-ylamino)-1(3H)-isobenzofuranone

Chemical Property:

• Vapor Pressure: 3.52E-10mmHg at 25°C
• Boiling Point: 501.3°Cat760mmHg
• Flash Point: 257°C
• PSA: 56.79000
• Density: 1.477g/cm³
• LogP: 2.76940
• XLogP3: 3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 2
• Exact Mass: 269.06880783
• Heavy Atom Count: 20
• Complexity: 388

Purity/Quality:

3-(1,3-BENZODIOXOL-5-YLAMINO)-3H-2-BENZOFURAN-1-ONE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1OC2=C(O1)C=C(C=C2)NC3C4=CC=CC=C4C(=O)O3