3-Iodo-5-methoxy-6-(trifluoromethyl)-1H-indole

• Catalog: OFC1171918936
• CAS: 1171918-93-6
• Category: Fluorinated Indoles
• MDL Number: MFCD12498701

• IUPAC Name: 3-iodo-5-methoxy-6-(trifluoromethyl)-1H-indole
• InChI: InChI=1S/C10H7F3INO/c1-16-9-2-5-7(14)4-15-8(5)3-6(9)10(11,12)13/h2-4,15H,1H3
• InChI Key: XATNKZPTOXCYNE-UHFFFAOYSA-N
• Isomeric SMILES: COC1=C(C=C2C(=C1)C(=CN2)I)C(F)(F)F

• Molecular Formula: C10H7F3INO
• Molecular Weight: 341.07
• Melting Point: 130 °C

• XLogP3-AA: 3.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 340.95245 g/mol
• Monoisotopic Mass: 340.95245 g/mol
• Topological Polar Surface Area: 25Ų
• Heavy Atom Count: 16
• Formal Charge: 0
• Complexity: 261