Methyl 6-(trifluoromethyl)-1H-indole-2-carboxylate

• Catalog: OFC887360341
• CAS: 887360-34-1
• Category: Fluorinated Indoles
• Synonyms: 6-trifluoromethyl-1H-indole-2-carboxylic acid methyl ester
• Purity: 95%
• MDL Number: MFCD07357592

• IUPAC Name: methyl 6-(trifluoromethyl)-1H-indole-2-carboxylate
• InChI: InChI=1S/C11H8F3NO2/c1-17-10(16)9-4-6-2-3-7(11(12,13)14)5-8(6)15-9/h2-5,15H,1H3
• InChI Key: DOPVUBUBIYMLBJ-UHFFFAOYSA-N
• Isomeric SMILES: COC(=O)C1=CC2=C(N1)C=C(C=C2)C(F)(F)F

• Molecular Formula: C11H8F3NO2
• Molecular Weight: 243.18

• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 2
• Exact Mass: 243.05071298 g/mol
• Monoisotopic Mass: 243.05071298 g/mol
• Topological Polar Surface Area: 42.1Ų
• Heavy Atom Count: 17
• Formal Charge: 0
• Complexity: 306