Ethyl 3-nitro-9-oxo-9H-thioxanthene-1-carboxylate

Base Information

• Chemical Name: Ethyl 3-nitro-9-oxo-9H-thioxanthene-1-carboxylate
• CAS No.: 81116-45-2
• Molecular Formula: C16H11NO5S
• Molecular Weight: 329.333
• DSSTox Substance ID: DTXSID90540960
• Wikidata: Q82417117

Synonyms:81116-45-2;SCHEMBL10831569;DTXSID90540960;ETHYL 3-NITRO-9-OXO-9H-THIOXANTHENE-1-CARBOXYLATE

Chemical Property of Ethyl 3-nitro-9-oxo-9H-thioxanthene-1-carboxylate

Chemical Property:

• XLogP3: 3.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 3
• Exact Mass: 329.03579362
• Heavy Atom Count: 23
• Complexity: 505

Purity/Quality:

85.0-99.8% ^*data from raw suppliers

Safty Information:

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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOC(=O)C1=C2C(=CC(=C1)[N+](=O)[O-])SC3=CC=CC=C3C2=O

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