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1910-90-3

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Basic Information
CAS No.: 1910-90-3
Name: 6-bromo-1,4-dihydro-quinoxaline-2,3-dione
Article Data: 3
Molecular Structure:
Molecular Structure of 1910-90-3 (6-bromo-1,4-dihydro-quinoxaline-2,3-dione)
Formula: C8H5BrN2O2
Molecular Weight: 241.044
Synonyms: 6-Bromo-2,3-dihydroxyquinoxaline;
Density: 1.752 g/cm3
Melting Point: 132 °C
Boiling Point: 518.4 °C at 760 mmHg
Flash Point: 267.3 °C
PSA: 65.72000
LogP: 0.97890
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Specification

The 2,3-Quinoxalinedione,6-bromo-1,4-dihydro- is an organic compound with the formula C8H5BrN2O2. With the CAS registry number 1910-90-3, its systematic name is 6-bromo-1,4-dihydroquinoxaline-2,3-dione.

Physical properties of 2,3-Quinoxalinedione,6-bromo-1,4-dihydro-: (1)ACD/LogP: 0.87; (2)ACD/LogD (pH 5.5): 0.87; (3)ACD/LogD (pH 7.4): 0.87; (4)ACD/BCF (pH 5.5): 2.71; (5)ACD/BCF (pH 7.4): 2.68; (6)ACD/KOC (pH 5.5): 70.98; (7)ACD/KOC (pH 7.4): 70.32; (8)#H bond acceptors: 4; (9)#H bond donors: 2; (10)Index of Refraction: 1.622; (11)Molar Refractivity: 48.46 cm3; (12)Molar Volume: 137.5 cm3; (13)Surface Tension: 52.6 dyne/cm; (14)Density: 1.752 g/cm3; (15)Flash Point: 267.3 °C; (16)Enthalpy of Vaporization: 82.07 kJ/mol; (17)Boiling Point: 518.4 °C at 760 mmHg; (18)Vapour Pressure: 2.29E-11 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: Brc1ccc2c(c1)NC(=O)C(=O)N2
(2)InChI: InChI=1/C8H5BrN2O2/c9-4-1-2-5-6(3-4)11-8(13)7(12)10-5/h1-3H,(H,10,12)(H,11,13)
(3)InChIKey: KCEGUPPDVPWCCX-UHFFFAOYAB