Methyl 7-fluoro-1H-indole-5-carboxylate

• Catalog: OFC256935985
• CAS: 256935-98-5
• Category: Fluorinated Indoles
• Synonyms: 1H-Indole-5-carboxylic acid, 7-fluoro-, methyl ester
• Purity: 97%
• MDL Number: MFCD06656840

• IUPAC Name: methyl 7-fluoro-1H-indole-5-carboxylate
• InChI: InChI=1S/C10H8FNO2/c1-14-10(13)7-4-6-2-3-12-9(6)8(11)5-7/h2-5,12H,1H3
• InChI Key: VONJGOKZTQSBNK-UHFFFAOYSA-N
• Isomeric SMILES: COC(=O)C1=CC(=C2C(=C1)C=CN2)F

• 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