2,1,3-Benzoxadiazole-5-carboxylicacid (19155-88-5)

The 2,1,3-Benzoxadiazole-5-carboxylic acid, with the cas registry number 19155-88-5, has the systematic name of Benzofurazan-5-carboxylic acid. It belongs to the following product categories: Heterocyclic Building Blocks; Laser DyesBuilding Blocks; Organic Electronics and Photonics; Oxadiazoles; Photonic and Optical Materials. And the molecular formula of the chemical is C₇H₄N₂O₃. When you are dealing with this chemical, be cautious not to breathe dust, and avoid contact with skin and eyes.

The characteristics of this chemical are as followings: (1)ACD/LogP: 1.37; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.91; (4)ACD/LogD (pH 7.4): -1.75; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 5; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 65.22 Å²; (13)Index of Refraction: 1.673; (14)Molar Refractivity: 39.5 cm³; (15)Molar Volume: 105.3 cm³; (16)Polarizability: 15.66×10^-24cm³; (17)Surface Tension: 80.5 dyne/cm; (18)Density: 1.558 g/cm³; (19)Flash Point: 171.5 °C; (20)Enthalpy of Vaporization: 63.9 kJ/mol; (21)Boiling Point: 360 °C at 760 mmHg; (22)Vapour Pressure: 8.25E-06 mmHg at 25°C.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: O=C(O)c1ccc2nonc2c1
(2)InChI: InChI=1/C7H4N2O3/c10-7(11)4-1-2-5-6(3-4)9-12-8-5/h1-3H,(H,10,11)
(3)InChIKey: WZUFYJFTOVGJJT-UHFFFAOYAQ