3-(Butan-2-yl)-4-hydroxy-5-nitrobenzene-1-sulfonic acid

Base Information

• Chemical Name: 3-(Butan-2-yl)-4-hydroxy-5-nitrobenzene-1-sulfonic acid
• CAS No.: 93037-41-3
• Molecular Formula: C10H13NO6S
• DSSTox Substance ID: DTXSID40707480

Synonyms:93037-41-3;SCHEMBL2639590;3-(Butan-2-yl)-4-hydroxy-5-nitrobenzene-1-sulfonic acid;DTXSID40707480

Chemical Property of 3-(Butan-2-yl)-4-hydroxy-5-nitrobenzene-1-sulfonic acid

Chemical Property:

• XLogP3: 2.5
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 3
• Exact Mass: 275.04635831
• Heavy Atom Count: 18
• Complexity: 398

Purity/Quality:

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MSDS Files:

SDS file from LookChem

Useful:

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

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