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913835-62-8

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Basic Information
CAS No.: 913835-62-8
Name: 2-[2-(TERT-BUTYLDIMETHYLSILYLOXY)ETHYL]BENZENEBORONIC ACID 96
Molecular Structure:
Molecular Structure of 913835-62-8 (2-[2-(TERT-BUTYLDIMETHYLSILYLOXY)ETHYL]BENZENEBORONIC ACID 96)
Formula: C14H25BO3Si
Molecular Weight: 280.2455
Synonyms: Boronicacid, [2-[2-[[(1,1-dimethylethyl)dimethylsilyl]oxy]ethyl]phenyl]- (9CI);
Density: 1g/cm3
Melting Point: 92-94°C
Boiling Point: 376.6 °C at 760 mmHg
Flash Point: 181.6 °C
Hazard Symbols: Xi
PSA: 49.69000
LogP: 1.93070
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Specification

The Boronicacid, B-[2-[2-[[(1,1-dimethylethyl)dimethylsilyl]oxy]ethyl]phenyl]-, with CAS registry number 913835-62-8, belongs to the following product categories: (1)Blocks; (2)Boronic Acids. It has the systematic name of [2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]phenyl]boronic acid. And the chemical formula of this chemical is C14H25BO3Si.

Physical properties of Boronicacid, B-[2-[2-[[(1,1-dimethylethyl)dimethylsilyl]oxy]ethyl]phenyl]-: (1)ACD/LogP: 4.41; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 4.41; (4)ACD/LogD (pH 7.4): 4.38; (5)#H bond acceptors: 3; (6)#H bond donors: 2; (7)#Freely Rotating Bonds: 8; (8)Polar Surface Area: 49.69 Å2; (9)Index of Refraction: 1.488; (10)Molar Refractivity: 80.83 cm3; (11)Molar Volume: 280.1 cm3; (12)Polarizability: 32.04×10-24cm3; (13)Surface Tension: 32.1 dyne/cm; (14)Density: 1 g/cm3; (15)Flash Point: 181.6 °C; (16)Enthalpy of Vaporization: 65.85 kJ/mol; (17)Boiling Point: 376.6 °C at 760 mmHg; (18)Vapour Pressure: 2.43E-06 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: B(c1ccccc1CCO[Si](C)(C)C(C)(C)C)(O)O
(2)InChI: InChI=1/C14H25BO3Si/c1-14(2,3)19(4,5)18-11-10-12-8-6-7-9-13(12)15(16)17/h6-9,16-17H,10-11H2,1-5H3
(3)InChIKey: IYNGSWXPLWIRBQ-UHFFFAOYAN
(4)Std. InChI: InChI=1S/C14H25BO3Si/c1-14(2,3)19(4,5)18-11-10-12-8-6-7-9-13(12)15(16)17/h6-9,16-17H,10-11H2,1-5H3
(5)Std. InChIKey: IYNGSWXPLWIRBQ-UHFFFAOYSA-N