Benz(cd)indole-1(2H)-acetic acid, 6,8-dibromo-2-thioxo-

Base Information

• Chemical Name: Benz(cd)indole-1(2H)-acetic acid, 6,8-dibromo-2-thioxo-
• CAS No.: 85386-71-6
• Molecular Formula: C13H7Br2NO2S
• Molecular Weight: 401.0732
• DSSTox Substance ID: DTXSID40234549
• Wikidata: Q83116350

Synonyms:6,8-Dibromo-2-thioxobenz(cd)indole-1(2H)-acetic acid;Benz(cd)indole-1(2H)-acetic acid, 6,8-dibromo-2-thioxo-;85386-71-6;C13H7Br2NO2S;SCHEMBL11183335;DTXSID40234549;C13-H7-Br2-N-O2-S;LS-33441

Chemical Property of Benz(cd)indole-1(2H)-acetic acid, 6,8-dibromo-2-thioxo-

Chemical Property:

• Vapor Pressure: 1.19E-14mmHg at 25°C
• Boiling Point: 587.6°Cat760mmHg
• Flash Point: 309.1°C
• Density: 2.15g/cm³
• XLogP3: 3.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 400.85438
• Heavy Atom Count: 19
• Complexity: 419

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC2=C3C(=C1)C(=S)N(C3=C(C=C2Br)Br)CC(=O)O

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