Methyl 6-fluoro-1H-indole-4-carboxylate

• Catalog: OFC1082040434
• CAS: 1082040-43-4
• Category: Fluorinated Indoles
• Synonyms: 6-Fluoro-1H-indole-4-carboxylic acid methyl ester
• Purity: 97%
• MDL Number: MFCD11845444

• IUPAC Name: methyl 6-fluoro-1H-indole-4-carboxylate
• InChI: InChI=1S/C10H8FNO2/c1-14-10(13)8-4-6(11)5-9-7(8)2-3-12-9/h2-5,12H,1H3
• InChI Key: CKFPLBCOOZCPOR-UHFFFAOYSA-N
• Isomeric SMILES: COC(=O)C1=C2C=CNC2=CC(=C1)F
• EC Number: 812-987-2

• Molecular Formula: C10H8FNO2
• Molecular Weight: 193.17

• XLogP3-AA: 2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 193.05390666 g/mol
• Monoisotopic Mass: 193.05390666 g/mol
• Topological Polar Surface Area: 42.1Ų
• Heavy Atom Count: 14
• Formal Charge: 0
• Complexity: 234