CAS No.426268-09-9,Benzo[c][1,2,5]oxadiazole-5-boronic acid Suppliers

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Basic Information

Molecular Structure:
CAS No.:	426268-09-9
Name:	Benzo[c][1,2,5]oxadiazole-5-boronic acid
Article Data:	2

Formula:	C₆H₅BN₂O₃
Molecular Weight:	163.928
Synonyms:	Boronic acid, B-2,1,3-benzoxadiazol-5-yl-;
Density:	1.49 g/cm³
Boiling Point:	374.7 °C at 760 mmHg
Flash Point:	180.4 °C
PSA:	79.38000
LogP:	-1.09740

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Specification

The Benzo[c][1,2,5]oxadiazole-5-boronic acid, with the CAS registry number 426268-09-9, is also known as Boronic acid, B-2,1,3-benzoxadiazol-5-yl-. It belongs to the product categories of Boronic acid; Heterocycle; Organoborons; Heterocyclic Building Blocks. This chemical's molecular formula is C₆H₅BN₂O₃ and molecular weight is 163.93. What's more, its systematic name is called 2,1,3-Benzoxadiazol-5-ylboronic acid.

Physical properties about Benzo[c][1,2,5]oxadiazole-5-boronic acid are: (1)ACD/LogP: 1.06; (2)#of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.82; (4)ACD/LogD (pH 7.4): -0.72; (5)ACD/BCF (pH 5.5): 2.15; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 51.31; (8)ACD/KOC (pH 7.4): 1.48; (9)#H bond acceptors: 5; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 57.38 Å²; (13)Index of Refraction: 1.63; (14)Molar Refractivity: 38.92 cm³; (15)Molar Volume: 109.2 cm³; (16)Polarizability: 15.43×10^-24 cm³; (17)Surface Tension: 76.2 dyne/cm; (18)Density: 1.49 g/cm³; (19)Flash Point: 180.4 °C; (20)Enthalpy of Vaporization: 65.64 kJ/mol; (21)Boiling Point: 374.7 °C at 760 mmHg; (22)Vapour Pressure: 2.79E-06 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: n1onc2cc(ccc12)B(O)O
(2) InChI: InChI=1/C6H5BN2O3/c10-7(11)4-1-2-5-6(3-4)9-12-8-5/h1-3,10-11H
(3) InChIKey: CHYMBQMSEFLESI-UHFFFAOYAH