Acetic acid, ((2,4-dinitrophenyl)sulfinyl)-, 1-methylethyl ester

Base Information

• Chemical Name: Acetic acid, ((2,4-dinitrophenyl)sulfinyl)-, 1-methylethyl ester
• CAS No.: 139326-47-9
• Molecular Formula: C11H12N2O7S
• DSSTox Substance ID: DTXSID60874188
• Nikkaji Number: J696.266A

Synonyms:139326-47-9;Acetic acid, ((2,4-dinitrophenyl)sulfinyl)-, 1-methylethyl ester;DTXSID60874188;AKOS002688777;2,4-Dinitrophenylsulfinyl-acetic acid, isopropyl

Chemical Property of Acetic acid, ((2,4-dinitrophenyl)sulfinyl)-, 1-methylethyl ester

Chemical Property:

• XLogP3: 1.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 5
• Exact Mass: 316.03652190
• Heavy Atom Count: 21
• Complexity: 443

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MSDS Files:

Useful:

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

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