tert-Butyl 5-fluoro-1H-indole-1-carboxylate

• Catalog: OFC129822475
• CAS: 129822-47-5
• Category: Fluorinated Indoles
• Synonyms: 1-Boc-5-fluoro-1H-indole
• Purity: 98%
• MDL Number: MFCD09870066

• IUPAC Name: tert-butyl 5-fluoroindole-1-carboxylate
• InChI: InChI=1S/C13H14FNO2/c1-13(2,3)17-12(16)15-7-6-9-8-10(14)4-5-11(9)15/h4-8H,1-3H3
• InChI Key: PCZRVRIBJPHEBB-UHFFFAOYSA-N
• Isomeric SMILES: CC(C)(C)OC(=O)N1C=CC2=C1C=CC(=C2)F

• Molecular Formula: C13H14FNO2
• Molecular Weight: 235.25
• Storage: Sealed in dry, room temperature

• XLogP3-AA: 3.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 235.10085685 g/mol
• Monoisotopic Mass: 235.10085685 g/mol
• Topological Polar Surface Area: 31.2Ų
• Heavy Atom Count: 17
• Formal Charge: 0
• Complexity: 300