Methyl 6-(TrifluoroMethoxy)indole-2-carboxylate

• Catalog: OFC1154319875
• CAS: 1154319-87-5
• Category: Fluorinated Indoles
• Synonyms: Methyl 6-(trifluoromethyl)-1H-indole-2- carboxylate
• Purity: 98%
• MDL Number: MFCD12070772

• IUPAC Name: methyl 6-(trifluoromethoxy)-1H-indole-2-carboxylate
• InChI: InChI=1S/C11H8F3NO3/c1-17-10(16)9-4-6-2-3-7(5-8(6)15-9)18-11(12,13)14/h2-5,15H,1H3
• InChI Key: OACWRRPQDLJKOA-UHFFFAOYSA-N
• Isomeric SMILES: COC(=O)C1=CC2=C(N1)C=C(C=C2)OC(F)(F)F

• Molecular Formula: C11H8F3NO3
• Molecular Weight: 259.18
• Storage: Sealed in dry, 2-8 °C

• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 3
• Exact Mass: 259.04562760 g/mol
• Monoisotopic Mass: 259.04562760 g/mol
• Topological Polar Surface Area: 51.3Ų
• Heavy Atom Count: 18
• Formal Charge: 0
• Complexity: 321