4-Bromo-5-fluoro-2,3-dimethyl-1H-indole-7-carboxylic acid

• Catalog: OFC1912445965
• CAS: 1912445-96-5
• Category: Fluorinated Indoles
• Purity: 98%

• IUPAC Name: 4-bromo-5-fluoro-2,3-dimethyl-1H-indole-7-carboxylic acid
• InChI: InChI=1S/C11H9BrFNO2/c1-4-5(2)14-10-6(11(15)16)3-7(13)9(12)8(4)10/h3,14H,1-2H3,(H,15,16)
• InChI Key: ZWCNWPFSOARSPO-UHFFFAOYSA-N
• Isomeric SMILES: CC1=C(NC2=C1C(=C(C=C2C(=O)O)F)Br)C

• Molecular Formula: C11H9BrFNO2
• Molecular Weight: 286.10
• Storage: Sealed in dry, room temperature

• XLogP3-AA: 3.1
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 284.98007 g/mol
• Monoisotopic Mass: 284.98007 g/mol
• Topological Polar Surface Area: 53.1Ų
• Heavy Atom Count: 16
• Formal Charge: 0
• Complexity: 302