Ethyl 3-bromo-5-(trifluoromethoxy)-1H-indole-2-carboxylate

• Catalog: OFC1227955216
• CAS: 1227955-21-6
• Category: Fluorinated Indoles
• Synonyms: 1H-Indole-2-carboxylic acid, 3-bromo-5-(trifluoromethoxy)-, ethyl ester
• MDL Number: MFCD11615815

• IUPAC Name: ethyl 3-bromo-5-(trifluoromethoxy)-1H-indole-2-carboxylate
• InChI: InChI=1S/C12H9BrF3NO3/c1-2-19-11(18)10-9(13)7-5-6(20-12(14,15)16)3-4-8(7)17-10/h3-5,17H,2H2,1H3
• InChI Key: APESJMAQOSVTBB-UHFFFAOYSA-N
• Isomeric SMILES: CCOC(=O)C1=C(C2=C(N1)C=CC(=C2)OC(F)(F)F)Br

• Molecular Formula: C12H9BrF3NO3
• Molecular Weight: 352.10

• XLogP3-AA: 4.5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 4
• Exact Mass: 350.97179 g/mol
• Monoisotopic Mass: 350.97179 g/mol
• Topological Polar Surface Area: 51.3Ų
• Heavy Atom Count: 20
• Formal Charge: 0
• Complexity: 366