Methyl 2-nitro-3-sulfanylbenzoate

Base Information

• Chemical Name: Methyl 2-nitro-3-sulfanylbenzoate
• CAS No.: 62486-44-6
• Molecular Formula: C8H7NO4S
• DSSTox Substance ID: DTXSID90489800
• Wikidata: Q82333273

Synonyms:62486-44-6;Methyl 2-nitro-3-sulfanylbenzoate;Methyl3-mercapto-2-nitrobenzoate;DTXSID90489800;Methyl 3-mercapto-2-nitrobenzoate

Chemical Property of Methyl 2-nitro-3-sulfanylbenzoate

Chemical Property:

• XLogP3: 1.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 2
• Exact Mass: 213.00957888
• Heavy Atom Count: 14
• Complexity: 240

Purity/Quality:

Safty Information:

• Pictogram(s):  
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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC(=O)C1=C(C(=CC=C1)S)[N+](=O)[O-]

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