Brocresine

Base Information

• Chemical Name: Brocresine
• CAS No.: 555-65-7
• Molecular Formula: C7H8 Br N O2
• Molecular Weight: 218.05
• UNII: 11F6O06WN0
• DSSTox Substance ID: DTXSID40204080
• Nikkaji Number: J6.473D
• Wikidata: Q27251320
• NCI Thesaurus Code: C76659
• ChEMBL ID: CHEMBL2106020
• Mol file: 555-65-7.mol

Synonyms:Brocresine;NSD 1055;NSD-1055;NSD1055

Chemical Property of Brocresine

Chemical Property:

• Vapor Pressure: 2.7E-05mmHg at 25°C
• Refractive Index: 1.6120 (estimate)
• Boiling Point: 347.3°Cat760mmHg
• Flash Point: 163.9°C
• PSA: 55.48000
• Density: 1.672g/cm³
• LogP: 2.24530
• XLogP3: 1.2
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 216.97384
• Heavy Atom Count: 11
• Complexity: 123

Purity/Quality:

99% ^*data from raw suppliers

BROCRESINE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=C(C=C1CON)O)Br
• Uses: Diuretic.