5-Fluoroindole-2-carboxylic Acid

• Catalog: OFC399768-1
• CAS: 399-76-8
• Category: Fluorinated Indoles
• Synonyms: 2-Carboxy-5-fluoroindole
• Purity: >98.0%(T)(HPLC)
• MDL Number: MFCD00005612

• IUPAC Name: 5-fluoro-1H-indole-2-carboxylic acid
• InChI: InChI=1S/C9H6FNO2/c10-6-1-2-7-5(3-6)4-8(11-7)9(12)13/h1-4,11H,(H,12,13)
• InChI Key: WTXBRZCVLDTWLP-UHFFFAOYSA-N
• Isomeric SMILES: C1=CC2=C(C=C1F)C=C(N2)C(=O)O
• EC Number: 206-919-5

• Molecular Formula: C9H6FNO2
• Molecular Weight: 179.15
• Melting Point: 249 °C(dec.)
• Appearance: White to almost white 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

• HS Number: 2933.99.8290