Diethyl benzo[b]thiophen-3-ylmethylphosphonate

Base Information

• Chemical Name: Diethyl benzo[b]thiophen-3-ylmethylphosphonate
• CAS No.: 80090-41-1
• Molecular Formula: C13H17O3PS
• DSSTox Substance ID: DTXSID10508709
• Wikidata: Q82365850

Synonyms:80090-41-1;diethyl benzo[b]thiophen-3-ylmethylphosphonate;Phosphonic acid, (benzo[b]thien-3-ylmethyl)-, diethyl ester;3-(diethoxyphosphorylmethyl)-1-benzothiophene;DTXSID10508709;FT-0752898;Diethyl (benzo[b]thiophen-3-ylmethyl)phosphonate;Diethyl [(1-benzothiophen-3-yl)methyl]phosphonate

Chemical Property of Diethyl benzo[b]thiophen-3-ylmethylphosphonate

Chemical Property:

• XLogP3: 2.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 6
• Exact Mass: 284.06360257
• Heavy Atom Count: 18
• Complexity: 301

Purity/Quality:

99% ^*data from raw suppliers

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MSDS Files:

Useful:

• Canonical SMILES: CCOP(=O)(CC1=CSC2=CC=CC=C21)OCC

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