3-Chloro-9-oxo-9H-thioxanthene-1-carboxylic acid

Base Information

• Chemical Name: 3-Chloro-9-oxo-9H-thioxanthene-1-carboxylic acid
• CAS No.: 81116-32-7
• Molecular Formula: C14H7ClO3S
• DSSTox Substance ID: DTXSID50540961
• Wikidata: Q82417118

Synonyms:81116-32-7;SCHEMBL11170692;3-CHLORO-9-OXO-9H-THIOXANTHENE-1-CARBOXYLIC ACID;DTXSID50540961

Chemical Property of 3-Chloro-9-oxo-9H-thioxanthene-1-carboxylic acid

Chemical Property:

• XLogP3: 3.7
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 289.9804429
• Heavy Atom Count: 19
• Complexity: 400

Purity/Quality:

85.0-99.8% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C2C(=C1)C(=O)C3=C(C=C(C=C3S2)Cl)C(=O)O

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