Ethyl 5-(trifluoromethoxy)-1H-indole-2-carboxylate

• Catalog: OFC175203824
• CAS: 175203-82-4
• Category: Fluorinated Indoles
• Synonyms: ETHYL 5-(TRIFLUOROMETHOXY)-1H-INDOLE-2-CARBOXYLATE
• MDL Number: MFCD00219837

• IUPAC Name: ethyl 5-(trifluoromethoxy)-1H-indole-2-carboxylate
• InChI: InChI=1S/C12H10F3NO3/c1-2-18-11(17)10-6-7-5-8(19-12(13,14)15)3-4-9(7)16-10/h3-6,16H,2H2,1H3
• InChI Key: LLGKTDNPBIFJKJ-UHFFFAOYSA-N
• Isomeric SMILES: CCOC(=O)C1=CC2=C(N1)C=CC(=C2)OC(F)(F)F
• EC Number: 670-581-9

• Molecular Formula: C12H10F3NO3
• Molecular Weight: 273.21

• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 4
• Exact Mass: 273.06127767 g/mol
• Monoisotopic Mass: 273.06127767 g/mol
• Topological Polar Surface Area: 51.3Ų
• Heavy Atom Count: 19
• Formal Charge: 0
• Complexity: 335