Name: 4-T-BUTOXYPHENYLBORONIC ACID
SKU: 176672-49-4

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Basic Information

Molecular Structure:
CAS No.:	176672-49-4
Name:	4-T-BUTOXYPHENYLBORONIC ACID
Article Data:	1

Formula:	C₁₀H₁₅BO₃
Molecular Weight:	194.038
Synonyms:	Boronicacid, [4-(1,1-dimethylethoxy)phenyl]- (9CI);4-(tert-Butoxy)phenylboronic acid;
Density:	1.08 g/cm³
Boiling Point:	328.1 °C at 760 mmHg
Flash Point:	152.2 °C
PSA:	49.69000
LogP:	0.54370

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Specification

The Boronic acid,B-[4-(1,1-dimethylethoxy)phenyl]-, with the CAS registry number 176672-49-4, has the systematic name of (4-tert-butoxyphenyl)boronic acid. It belongs to the product category of Boronic Acid. And the molecular formula of the chemical is C₁₀H₁₅BO₃.

The characteristics of Boronic acid,B-[4-(1,1-dimethylethoxy)phenyl]- are as followings: (1)ACD/LogP: 2.73; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.73; (4)ACD/LogD (pH 7.4): 2.71; (5)ACD/BCF (pH 5.5): 70.27; (6)ACD/BCF (pH 7.4): 67.17; (7)ACD/KOC (pH 5.5): 730.19; (8)ACD/KOC (pH 7.4): 698; (9)#H bond acceptors: 3; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 5; (12)Polar Surface Area: 27.69 Å²; (13)Index of Refraction: 1.509; (14)Molar Refractivity: 53.55 cm³; (15)Molar Volume: 179.2 cm³; (16)Polarizability: 21.22×10^-24cm³; (17)Surface Tension: 38.5 dyne/cm; (18)Density: 1.08 g/cm³; (19)Flash Point: 152.2 °C; (20)Enthalpy of Vaporization: 60.22 kJ/mol; (21)Boiling Point: 328.1 °C at 760 mmHg; (22)Vapour Pressure: 7.83E-05 mmHg at 25°C.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: O(c1ccc(cc1)B(O)O)C(C)(C)C
(2)InChI: InChI=1/C10H15BO3/c1-10(2,3)14-9-6-4-8(5-7-9)11(12)13/h4-7,12-13H,1-3H3
(3)InChIKey: OKHCKPPOCZWHRN-UHFFFAOYAU