1-(methoxymethyl)-6-(tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indazole

• ChemBase ID: 291075
• Molecular Formular: C15H21BN2O3
• Molecular Mass: 288.14984
• Monoisotopic Mass: 288.16452294
• SMILES: CC1(C)C(C)(C)OB(c2cc3c(cc2)cnn3COC)O1
• Canonical SMILES: COCn1ncc2c1cc(cc2)B1OC(C(O1)(C)C)(C)C
• InChI: InChI=1S/C15H21BN2O3/c1-14(2)15(3,4)21-16(20-14)12-7-6-11-9-17-18(10-19-5)13(11)8-12/h6-9H,10H2,1-5H3
• InChIKey: MBNXZYJYGJNABY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(methoxymethyl)-6-(tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indazole
• IUPAC Traditional name: 1-(methoxymethyl)-6-(tetramethyl-1,3,2-dioxaborolan-2-yl)indazole
• Synonyms: 1-(Methoxymethyl)-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indazole

Database IDs

• CAS Number: 1256360-14-1
• PubChem SID: 180676606
• PubChem CID: 53217235

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 3.4715962
• LogD (pH = 7.4): 3.4716
• Log P: 3.4716
• Molar Refractivity: 86.7972 cm^3
• Polarizability: 32.693867 Å^3
• Polar Surface Area: 45.51 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%