The 9-Phenyl-9H-carbazole-3-boronic acid pinacol ester, with CAS registry number 1126522-69-71126522-69-7, has the systematic name of 9-phenyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)carbazole. And the chemical formula of this chemical is C24H24BNO2.
Physical properties of 9-Phenyl-9H-carbazole-3-boronic acid pinacol ester: (1)#H bond acceptors: 3; (2)#H bond donors: 0; (3)#Freely Rotating Bonds: 2; (4)Polar Surface Area: 23.39 Å2; (5)Index of Refraction: 1.591; (6)Molar Refractivity: 112.303 cm3; (7)Molar Volume: 332.179 cm3; (8)Polarizability: 44.52×10-24cm3; (9)Surface Tension: 39.275 dyne/cm; (10)Enthalpy of Vaporization: 74.241 kJ/mol; (11)Vapour Pressure: 0 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: B1(OC(C(O1)(C)C)(C)C)c2ccc3c(c2)c4ccccc4n3c5ccccc5
(2)InChI: InChI=1/C24H24BNO2/c1-23(2)24(3,4)28-25(27-23)17-14-15-22-20(16-17)19-12-8-9-13-21(19)26(22)18-10-6-5-7-11-18/h5-16H,1-4H3
(3)InChIKey: UBASCOPZFCGGAV-UHFFFAOYAS
(4)Std. InChI: InChI=1S/C24H24BNO2/c1-23(2)24(3,4)28-25(27-23)17-14-15-22-20(16-17)19-12-8-9-13-21(19)26(22)18-10-6-5-7-11-18/h5-16H,1-4H3
(5)Std. InChIKey: UBASCOPZFCGGAV-UHFFFAOYSA-N
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