5-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)-3-(trifluoromethyl)-1H-indazole

• Catalog Number: ACM1821029133
• Product Name: 5-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)-3-(trifluoromethyl)-1H-indazole
• CAS: 1821029-13-3
• Category: Boric Acids
• Synonyms: 5-(Tetramethyl-1,3,2-dioxaborolan-2-yl)-3-(trifluoromethyl)-1H-indazole
• IUPAC Name: 5-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)-3-(trifluoromethyl)-2H-indazole
• Molecular Weight: 312.1
• Molecular Formula: C14H16BF3N2O2
• Canonical SMILES: B1(OC(C(O1)(C)C)(C)C)C2=CC3=C(NN=C3C=C2)C(F)(F)F
• InChI: InChI=1S/C14H16BF3N2O2/c1-12(2)13(3,4)22-15(21-12)8-5-6-10-9(7-8)11(20-19-10)14(16,17)18/h5-7H,1-4H3,(H,19,20)
• InChI Key: RVEHHNXZYWVDKI-UHFFFAOYSA-N
• Boiling Point: 410.3±40.0 °C/760 mmHg
• Flash Point: 201.9±27.3 °C
• Density: 1.3±0.1 g/cm3
• Complexity: 428
• Covalently-Bonded Unit Count: 1
• Defined Atom Stereocenter Count: 0
• Exact Mass: 312.1256924
• Heavy Atom Count: 22
• Monoisotopic Mass: 312.1256924
• Physical State: Solid
• Refractive Index: 1.519
• Topological Polar Surface Area: 47.1 Ų