Molecular Structure of 1H-Indazole,6-(5,5-dimethyl-1,3,2-dioxaborinan-2-yl)- (CAS No.861905-87-5):
Molecular Formula: C13H17BN2O2
Molecular Weight: 244.0973
Systematic Name: 6-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indazole
CAS No: 861905-87-5
H bond acceptors: 4
H bond donors: 1
Freely Rotating Bonds: 1
Polar Surface Area: 47.14 Å2
Index of Refraction: 1.563
Molar Refractivity: 68.73 cm3
Molar Volume: 211.4 cm3
Surface Tension: 43.6 dyne/cm
Density: 1.15 g/cm3
Flash Point: 198.2 °C
Melting Point: 134-139 °C
Enthalpy of Vaporization: 63 kJ/mol
Boiling Point: 404.1 °C at 760 mmHg
Vapour Pressure: 2.26E-06 mmHg at 25°C
InChI: InChI=1/C13H17BN2O2/c1-12(2)13(3,4)18-14(17-12)10-6-5-9-8-15-16-11(9)7-10/h5-8H,1-4H3,(H,15,16)
InChIKey: YDWZPHAJTNZBEG-UHFFFAOYAE
Std. InChI: InChI=1S/C13H17BN2O2/c1-12(2)13(3,4)18-14(17-12)10-6-5-9-8-15-16-11(9)7-10/h5-8H,1-4H3,(H,15,16)
Std. InChIKey: YDWZPHAJTNZBEG-UHFFFAOYSA-N
1H-Indazole,6-(5,5-dimethyl-1,3,2-dioxaborinan-2-yl)- (CAS No.861905-87-5), it also can be called 1H-Indazole, 6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)- ; 6-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indazole .
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