Methyl 3-methyl-5-nitrobenzofuran-2-carboxylate

Base Information

• Chemical Name: Methyl 3-methyl-5-nitrobenzofuran-2-carboxylate
• CAS No.: 104862-12-6
• Molecular Formula: C₁₁H₉NO₅
• Molecular Weight: 235.196
• DSSTox Substance ID: DTXSID201245324

Synonyms:methyl 3-methyl-5-nitrobenzofuran-2-carboxylate;104862-12-6;SCHEMBL6982862;LSWHLFZARMRMQR-UHFFFAOYSA-N;DTXSID201245324;F70136;Methyl 3-methyl-5-nitro-2-benzofurancarboxylate;methyl 3-methyl-5-nitro-1-benzofuran-2-carboxylate

Chemical Property of Methyl 3-methyl-5-nitrobenzofuran-2-carboxylate

Chemical Property:

• XLogP3: 2.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 2
• Exact Mass: 235.04807239
• Heavy Atom Count: 17
• Complexity: 326

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MSDS Files:

Useful:

• Canonical SMILES: CC1=C(OC2=C1C=C(C=C2)[N+](=O)[O-])C(=O)OC

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