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The 3-Methyl-1H-indazole-5-bonic acid pinacol ester, with CAS registry number 864771-17-5, belongs to the following product category: Indazole. It has the systematic name of 3-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indazole.And the chemical formula of this chemical is C14H19BN2O2.
Physical properties of 3-Methyl-1H-indazole-5-bonic acid pinacol ester: (1)#H bond acceptors: 4; (2)#H bond donors: 1; (3)#Freely Rotating Bonds: 1; (4)Polar Surface Area: 47.14 Å2; (5)Index of Refraction: 1.558; (6)Molar Refractivity: 73.36 cm3; (7)Molar Volume: 227.2 cm3; (8)Polarizability: 29.08×10-24cm3; (9)Surface Tension: 42.9 dyne/cm; (10)Enthalpy of Vaporization: 64.4 kJ/mol; (11)Vapour Pressure: 9.03E-07 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: CC1(C)OB(OC1(C)C)c2cc3c(C)nnc3cc2
(2)InChI: InChI=1/C14H19BN2O2/c1-9-11-8-10(6-7-12(11)17-16-9)15-18-13(2,3)14(4,5)19-15/h6-8H,1-5H3,(H,16,17)
(3)InChIKey: YTYTZKVFIGWLKK-UHFFFAOYAZ
(4)Std. InChI: InChI=1S/C14H19BN2O2/c1-9-11-8-10(6-7-12(11)17-16-9)15-18-13(2,3)14(4,5)19-15/h6-8H,1-5H3,(H,16,17)
(5)Std. InChIKey: YTYTZKVFIGWLKK-UHFFFAOYSA-N
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