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36389-07-8

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Basic Information
CAS No.: 36389-07-8
Name: ETHYL BENZOFURAZAN-5-CARBOXYLATE
Article Data: 3
Molecular Structure:
Molecular Structure of 36389-07-8 (ETHYL BENZOFURAZAN-5-CARBOXYLATE)
Formula: C9H8N2O3
Molecular Weight: 192.174
Synonyms: 5-Benzofurazancarboxylicacid, ethyl ester;5-Ethoxycarbonylbenzofurazan;
Density: 1.305 g/cm3
Boiling Point: 289.5 °C at 760 mmHg
Flash Point: 128.9 °C
Hazard Symbols: IrritantXi
PSA: 65.22000
LogP: 1.39950
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Specification

The CAS register number of Ethyl benzofurazan-5-carboxylate is 36389-07-8. It also can be called as 2,1,3-Benzoxadiazole-5-carboxylic acid ethyl ester and the systematic name about this chemical is ethyl 2,1,3-benzoxadiazole-5-carboxylate.

Physical properties about Ethyl benzofurazan-5-carboxylate are: (1)ACD/LogP: 2.20; (2)ACD/LogD (pH 5.5): 2.2; (3)ACD/LogD (pH 7.4): 2.2; (4)ACD/BCF (pH 5.5): 27.62; (5)ACD/BCF (pH 7.4): 27.62; (6)ACD/KOC (pH 5.5): 374.34; (7)ACD/KOC (pH 7.4): 374.34; (8)#H bond acceptors: 5; (9)#Freely Rotating Bonds: 3; (10)Polar Surface Area: 65.22Å2; (11)Index of Refraction: 1.579; (12)Molar Refractivity: 48.98 cm3; (13)Molar Volume: 147.1 cm3; (14)Polarizability: 19.41x10-24cm3; (15)Surface Tension: 53.4 dyne/cm; (16)Enthalpy of Vaporization: 52.88 kJ/mol; (17)Boiling Point: 289.5 °C at 760 mmHg; (18)Vapour Pressure: 0.0022 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(OCC)c1ccc2nonc2c1
(2)InChI: InChI=1/C9H8N2O3/c1-2-13-9(12)6-3-4-7-8(5-6)11-14-10-7/h3-5H,2H2,1H3
(3)InChIKey: ZTZZIZQMAQKOPC-UHFFFAOYAT
(4)Std. InChI: InChI=1S/C9H8N2O3/c1-2-13-9(12)6-3-4-7-8(5-6)11-14-10-7/h3-5H,2H2,1H3
(5)Std. InChIKey: ZTZZIZQMAQKOPC-UHFFFAOYSA-N