5-Chloro-2-nitro-4-(propan-2-yl)benzene-1-sulfonic acid

Base Information

• Chemical Name: 5-Chloro-2-nitro-4-(propan-2-yl)benzene-1-sulfonic acid
• CAS No.: 89354-61-0
• Molecular Formula: C9H10ClNO5S
• Molecular Weight: 279.69700
• DSSTox Substance ID: DTXSID80607672
• Wikidata: Q82506737

Synonyms:89354-61-0;SCHEMBL11122127;5-Chloro-2-nitro-4-(propan-2-yl)benzene-1-sulfonic acid;DTXSID80607672

Chemical Property of 5-Chloro-2-nitro-4-(propan-2-yl)benzene-1-sulfonic acid

Chemical Property:

• PSA: 108.57000
• LogP: 4.22230
• XLogP3: 2.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 2
• Exact Mass: 278.9968213
• Heavy Atom Count: 17
• Complexity: 385

Purity/Quality:

Safty Information:

• Pictogram(s):  
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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)C1=CC(=C(C=C1Cl)S(=O)(=O)O)[N+](=O)[O-]

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