6-Fluoroindole-2-carboxylic Acid

• Catalog: OFC3093978-1
• CAS: 3093-97-8
• Category: Fluorinated Indoles
• Synonyms: 6-Fluoro-1H-indole-2-carboxylic acid
• Purity: >98.0%(T)(HPLC)
• MDL Number: MFCD01863162

• IUPAC Name: 6-fluoro-1H-indole-2-carboxylic acid
• InChI: InChI=1S/C9H6FNO2/c10-6-2-1-5-3-8(9(12)13)11-7(5)4-6/h1-4,11H,(H,12,13)
• InChI Key: LRTIKMXIKAOCDM-UHFFFAOYSA-N
• Isomeric SMILES: C1=CC2=C(C=C1F)NC(=C2)C(=O)O
• EC Number: 815-842-1

• Molecular Formula: C9H6FNO2
• Molecular Weight: 179.15
• Melting Point: 250 °C(dec.)
• Appearance: Light yellow to yellow to orange powder to crystal

• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 179.03825660 g/mol
• Monoisotopic Mass: 179.03825660 g/mol
• Topological Polar Surface Area: 53.1Ų
• Heavy Atom Count: 13
• Formal Charge: 0
• Complexity: 222