4-Amino-3-nitrophenyl 4-ethylbenzene-1-sulfonate

Base Information

• Chemical Name: 4-Amino-3-nitrophenyl 4-ethylbenzene-1-sulfonate
• CAS No.: 90628-31-2
• Molecular Formula: C14H14N2O5S
• DSSTox Substance ID: DTXSID10575092
• Wikidata: Q82464328

Synonyms:90628-31-2;4-Amino-3-nitrophenyl 4-ethylbenzene-1-sulfonate;SCHEMBL10732476;DTXSID10575092

Chemical Property of 4-Amino-3-nitrophenyl 4-ethylbenzene-1-sulfonate

Chemical Property:

• XLogP3: 3.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 4
• Exact Mass: 322.06234272
• Heavy Atom Count: 22
• Complexity: 476

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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCC1=CC=C(C=C1)S(=O)(=O)OC2=CC(=C(C=C2)N)[N+](=O)[O-]

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