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2622-89-1

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Basic Information
CAS No.: 2622-89-1
Name: DIPHENYL BORINIC ACID
Article Data: 56
Molecular Structure:
Molecular Structure of 2622-89-1 (DIPHENYL BORINIC ACID)
Formula: C12H11BO
Molecular Weight: 182.03
Synonyms: DIPHENYL BORINIC ACID;Borinic acid, diphenyl-;
Density: 1.06g/cm3
Melting Point: 57.5°C
Boiling Point: 312.6 °C at 760 mmHg
Flash Point: 142.8 °C
PSA: 20.23000
LogP: 0.78460
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Specification

The Diphenylborinic acid, with CAS registry number 2622-89-1, has the systematic name of diphenylborinic acid. Besides this, it is also called borinic acid, B,B-diphenyl-. Its molecular weight is 182.0261. And the chemical formula of this chemical is C12H11BO.

Physical properties of Diphenylborinic acid: (1)ACD/LogP: 3.47; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.47; (4)ACD/LogD (pH 7.4): 3.46; (5)ACD/BCF (pH 5.5): 255.62; (6)ACD/BCF (pH 7.4): 249.45; (7)ACD/KOC (pH 5.5): 1840.44; (8)ACD/KOC (pH 7.4): 1796; (9)#H bond acceptors: 1; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 9.23 Å2; (13)Index of Refraction: 1.578; (14)Molar Refractivity: 56.46 cm3; (15)Molar Volume: 170.1 cm3; (16)Polarizability: 22.38×10-24cm3; (17)Surface Tension: 40.2 dyne/cm; (18)Density: 1.06 g/cm3; (19)Flash Point: 142.8 °C; (20)Enthalpy of Vaporization: 58.45 kJ/mol; (21)Boiling Point: 312.6 °C at 760 mmHg; (22)Vapour Pressure: 0.000224 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: OB(c1ccccc1)c2ccccc2
(2)InChI: InChI=1/C12H11BO/c14-13(11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10,14H
(3)InChIKey: VIGVRXYWWFPORY-UHFFFAOYAG
(4)Std. InChI: InChI=1S/C12H11BO/c14-13(11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10,14H
(5)Std. InChIKey: VIGVRXYWWFPORY-UHFFFAOYSA-N