Benzoic acid, 2-(((6,8-dibromo-3-(2-chlorophenyl)-3,4-dihydro-4-oxo-2-quinazolinyl)methyl)sulfonyl)-

Base Information

• Chemical Name: Benzoic acid, 2-(((6,8-dibromo-3-(2-chlorophenyl)-3,4-dihydro-4-oxo-2-quinazolinyl)methyl)sulfonyl)-
• CAS No.: 108659-81-0
• Molecular Formula: C22H13 Br2 Cl N2 O5 S
• Molecular Weight: 612.67
• DSSTox Substance ID: DTXSID80148671
• Wikidata: Q83014262
• Mol file: 108659-81-0.mol

Synonyms:108659-81-0;Benzoic acid, 2-(((6,8-dibromo-3-(2-chlorophenyl)-3,4-dihydro-4-oxo-2-quinazolinyl)methyl)sulfonyl)-;2-[[6,8-dibromo-3-(2-chlorophenyl)-4-oxoquinazolin-2-yl]methylsulfonyl]benzoic acid;C22H13Br2ClN2O5S;DTXSID80148671;DMXSOERDTXQOMZ-UHFFFAOYSA-N;C22-H13-Br2-Cl-N2-O5-S;LS-36759

Chemical Property of Benzoic acid, 2-(((6,8-dibromo-3-(2-chlorophenyl)-3,4-dihydro-4-oxo-2-quinazolinyl)methyl)sulfonyl)-

Chemical Property:

• Vapor Pressure: 1.52E-26mmHg at 25°C
• Boiling Point: 793.5°C at 760 mmHg
• Flash Point: 433.7°C
• PSA: 114.71000
• Density: 1.83g/cm³
• LogP: 6.31700
• XLogP3: 4.9
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 5
• Exact Mass: 611.85800
• Heavy Atom Count: 33
• Complexity: 911

Purity/Quality:

99%min ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C(=C1)C(=O)O)S(=O)(=O)CC2=NC3=C(C=C(C=C3Br)Br)C(=O)N2C4=CC=CC=C4Cl