3-Nitro-4-sulfanyl-2H-1-benzopyran-2-one

Base Information

• Chemical Name: 3-Nitro-4-sulfanyl-2H-1-benzopyran-2-one
• CAS No.: 131814-90-9
• Molecular Formula: C9H5NO4S
• DSSTox Substance ID: DTXSID50562188
• Wikidata: Q82446235

Synonyms:131814-90-9;3-Nitro-4-sulfanyl-2H-1-benzopyran-2-one;3-nitro-4-mercaptocoumarin;DTXSID50562188

Chemical Property of 3-Nitro-4-sulfanyl-2H-1-benzopyran-2-one

Chemical Property:

• XLogP3: 1.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 0
• Exact Mass: 222.99392881
• Heavy Atom Count: 15
• Complexity: 347

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(=C(C(=O)O2)[N+](=O)[O-])S

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