Methyl 4-chloro-3-(cyanomethyl)-1H-indole-1-carboxylate

Base Information

• Chemical Name: Methyl 4-chloro-3-(cyanomethyl)-1H-indole-1-carboxylate
• CAS No.: 89434-06-0
• Molecular Formula: C12H9ClN2O2
• Molecular Weight: 248.669
• DSSTox Substance ID: DTXSID50542288
• Wikidata: Q82418900

Synonyms:89434-06-0;DTXSID50542288;Methyl 4-chloro-3-(cyanomethyl)-1H-indole-1-carboxylate

Chemical Property of Methyl 4-chloro-3-(cyanomethyl)-1H-indole-1-carboxylate

Chemical Property:

• XLogP3: 2.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 248.0352552
• Heavy Atom Count: 17
• Complexity: 352

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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC(=O)N1C=C(C2=C1C=CC=C2Cl)CC#N

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