Acetic acid, ((2,4-dinitrophenyl)sulfinyl)-, methyl ester

Base Information

• Chemical Name: Acetic acid, ((2,4-dinitrophenyl)sulfinyl)-, methyl ester
• CAS No.: 139326-46-8
• Molecular Formula: C9H8N2O7S
• DSSTox Substance ID: DTXSID80875859
• Nikkaji Number: J696.265C

Synonyms:139326-46-8;Acetic acid, ((2,4-dinitrophenyl)sulfinyl)-, methyl ester;DTXSID80875859;AKOS002688781;2,4-Dinitrophenylsulfinyl-acetic acid, methyl es;2-[(2,4-Dinitrophenyl)sulfinyl]acetic acid methyl ester

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

Chemical Property:

• XLogP3: 0.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 4
• Exact Mass: 288.00522177
• Heavy Atom Count: 19
• Complexity: 402

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MSDS Files:

Useful:

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

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