Ethyl 7-fluoro-5-(methylsulphonyl)-1H-indole-2-carboxylate

• Catalog: OFC849035832
• CAS: 849035-83-2
• Category: Fluorinated Indoles
• Synonyms: 7-fluoro-5-methylsulfonyl-1H-indole-2-carboxylic acid ethyl ester
• MDL Number: MFCD04037954

• IUPAC Name: ethyl 7-fluoro-5-methylsulfonyl-1H-indole-2-carboxylate
• InChI: InChI=1S/C12H12FNO4S/c1-3-18-12(15)10-5-7-4-8(19(2,16)17)6-9(13)11(7)14-10/h4-6,14H,3H2,1-2H3
• InChI Key: KBJSJZNRAUFFSD-UHFFFAOYSA-N
• Isomeric SMILES: CCOC(=O)C1=CC2=CC(=CC(=C2N1)F)S(=O)(=O)C

• Molecular Formula: C12H12FNO4S
• Molecular Weight: 285.29
• Melting Point: 193-195 °C

• XLogP3-AA: 1.9
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 4
• Exact Mass: 285.04710720 g/mol
• Monoisotopic Mass: 285.04710720 g/mol
• Topological Polar Surface Area: 84.6Ų
• Heavy Atom Count: 19
• Formal Charge: 0
• Complexity: 447