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

Base Information

• Chemical Name: Methyl 3-(cyanomethyl)-4-fluoro-1H-indole-1-carboxylate
• CAS No.: 89434-05-9
• Molecular Formula: C₁₂H₉FN₂O₂
• Molecular Weight: 232.214
• DSSTox Substance ID: DTXSID80542291
• Wikidata: Q82418906
• Mol file: 89434-05-9.mol

Synonyms:89434-05-9;DTXSID80542291;Methyl 3-(cyanomethyl)-4-fluoro-1H-indole-1-carboxylate

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

Chemical Property:

• XLogP3: 2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 232.06480570
• Heavy Atom Count: 17
• Complexity: 352

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC(=O)N1C=C(C2=C1C=CC=C2F)CC#N