5-(5-(3-Nitrophenoxy)-1,3-dioxoisoindolin-2-yl)isophthalic acid

Base Information

• Chemical Name: 5-(5-(3-Nitrophenoxy)-1,3-dioxoisoindolin-2-yl)isophthalic acid
• CAS No.: 5233-13-6
• Molecular Formula: C22H12N2O9
• Molecular Weight: 448.3387
• DSSTox Substance ID: DTXSID10367954
• Wikidata: Q82154166
• ChEMBL ID: CHEMBL603414
• Mol file: 5233-13-6.mol

Synonyms:5233-13-6;5-(5-(3-nitrophenoxy)-1,3-dioxoisoindolin-2-yl)isophthalic acid;STK010162;CBMicro_014889;Oprea1_228597;Oprea1_583433;CHEMBL603414;Phenol, potassium salt (4:1);DTXSID10367954;SMSF0005081;AKOS000638328;CB13747;SB66064;5-[5-(3-Nitro-phenoxy)-1,3-dioxo-1,3-dihydro-isoindol-2-yl]-isophthalic acid;BIM-0014746.P001;5-[5-(3-nitrophenoxy)-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl]benzene-1,3-dicarboxylic acid

Chemical Property of 5-(5-(3-Nitrophenoxy)-1,3-dioxoisoindolin-2-yl)isophthalic acid

Chemical Property:

• Vapor Pressure: 2.16E-25mmHg at 25°C
• Boiling Point: 776.7°Cat760mmHg
• Flash Point: 423.5°C
• Density: 1.634g/cm³
• XLogP3: 2.9
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 9
• Rotatable Bond Count: 5
• Exact Mass: 448.05427996
• Heavy Atom Count: 33
• Complexity: 818

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=CC(=C1)OC2=CC3=C(C=C2)C(=O)N(C3=O)C4=CC(=CC(=C4)C(=O)O)C(=O)O)[N+](=O)[O-]