CAS No.141981-64-8,2-ANTHRACENEBORONIC ACID Suppliers

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Basic Information

Molecular Structure:
CAS No.:	141981-64-8
Name:	2-ANTHRACENEBORONIC ACID

Formula:	C₁₄H₁₁BO₂
Molecular Weight:	222.051
Synonyms:	Boronicacid, 2-anthracenyl- (9CI);Anthracen-2-ylboronicacid;
Density:	1.268 g/cm³
Boiling Point:	479.505 °C at 760 mmHg
Flash Point:	243.796 °C
Appearance:	off-white solid
PSA:	40.46000
LogP:	1.67280

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Specification

This chemical is called 2-Anthracenylboronic acid, and its IUPAC name is anthracen-2-ylboronic acid. With the molecular formula of C₁₄H₁₁BO₂, its molecular weight is 222.05. The CAS registry number of this chemical is 141981-64-8, and its product categories are Anthracenes; B (Classes of Boron Compounds); Boronic Acids.

Other characteristics of the 2-Anthracenylboronic acid can be summarised as followings: (1)ACD/LogP: 3.61; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 4; (4)ACD/LogD (pH 7.4): 4; (5)ACD/BCF (pH 5.5): 705; (6)ACD/BCF (pH 7.4): 657; (7)ACD/KOC (pH 5.5): 3803; (8)ACD/KOC (pH 7.4): 3544; (9)#H bond acceptors: 2; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 40.46 Å²; (13)Index of Refraction: 1.71; (14)Molar Refractivity: 68.403 cm³; (15)Molar Volume: 175.074 cm³; (16)Polarizability: 27.117×10^-24cm³; (17)Surface Tension: 57.219 dyne/cm; (18)Density: 1.268 g/cm³; (19)Flash Point: 243.796 °C; (20)Enthalpy of Vaporization: 78.353 kJ/mol; (21)Boiling Point: 479.505 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25°C.

You can still convert the following datas into molecular structure:
1.SMILES: OB(O)c3ccc2cc1ccccc1cc2c3
2.InChI: InChI=1/C14H11BO2/c16-15(17)14-6-5-12-7-10-3-1-2-4-11(10)8-13(12)9-14/h1-9,16-17H
3.InChIKey: PKWBMOXZIMVOJT-UHFFFAOYAQ