3-(TERT-BUTOXYCARBONYL)PHENYLBORONIC ACID

The Carbonicacid, 3-boronophenyl 1,1-dimethylethyl ester, with CAS registry number 380430-69-3, belongs to the following product categories: (1)Blocks; (2)Boronic Acids; (3)Heterocyclic Compounds. It has the systematic name of {3-[(tert-butoxycarbonyl)oxy]phenyl}boronic acid. This chemical should be kept cold. And the chemical formula of this chemical is C₁₁H₁₅BO₅.

Physical properties of Carbonicacid, 3-boronophenyl 1,1-dimethylethyl ester: (1)ACD/LogP: 2.09; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.09; (4)ACD/LogD (pH 7.4): 1.86; (5)ACD/BCF (pH 5.5): 22.69; (6)ACD/BCF (pH 7.4): 13.46; (7)ACD/KOC (pH 5.5): 324.35; (8)ACD/KOC (pH 7.4): 192.45; (9)#H bond acceptors: 5; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 7; (12)Polar Surface Area: 53.99 Å²; (13)Index of Refraction: 1.515; (14)Molar Refractivity: 60.04 cm³; (15)Molar Volume: 198.8 cm³; (16)Polarizability: 23.8×10^-24cm³; (17)Surface Tension: 44 dyne/cm; (18)Density: 1.19 g/cm³; (19)Flash Point: 191.7 °C; (20)Enthalpy of Vaporization: 67.85 kJ/mol; (21)Boiling Point: 393.4 °C at 760 mmHg; (22)Vapour Pressure: 6.77E-07 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following:
The Carbonicacid, 3-boronophenyl 1,1-dimethylethyl ester irritates to eyes, respiratory system and skin. When use it, wear suitable protective clothing, gloves and eye/face protection. If contact with eyes, rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(OC(C)(C)C)Oc1cccc(c1)B(O)O
(2)InChI: InChI=1/C11H15BO5/c1-11(2,3)17-10(13)16-9-6-4-5-8(7-9)12(14)15/h4-7,14-15H,1-3H3
(3)InChIKey: CCJCGIZQPLKYDW-UHFFFAOYAY
(4)Std. InChI: InChI=1S/C11H15BO5/c1-11(2,3)17-10(13)16-9-6-4-5-8(7-9)12(14)15/h4-7,14-15H,1-3H3
(5)Std. InChIKey: CCJCGIZQPLKYDW-UHFFFAOYSA-N