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5-Nitroquinolin-2(1H)-one

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Name

5-Nitroquinolin-2(1H)-one

EINECS N/A
CAS No. 6938-27-8 Density 1.419 g/cm3
PSA 78.68000 LogP 1.95950
Solubility N/A Melting Point 245-247 ℃
Formula C9H6N2O3 Boiling Point 422.1 °C at 760 mmHg
Molecular Weight 190.1555 Flash Point 209.1 °C
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 6938-27-8 (5-nitro-1H-quinolin-2-one) Hazard Symbols N/A
Synonyms

5-(Hydroxyl[oxido]amino)-2-hydroxyquinoline;5-Nitrocarbostyril;5-Nitroquinolin-2(1H)-one;NSC 53940;

Article Data 18

5-Nitroquinolin-2(1H)-one Specification

The 2(1H)-Quinolinone,5-nitro- is an organic compound with the formula C9H6N2O3. The IUPAC name of this chemical is 5-Nitro-1H-quinolin-2-one. With the CAS registry number 6938-27-8, it is also named as 5-Nitroquinoline 2-oxide. Besides, its molecular weight is 190.1555.

Physical properties about 2(1H)-Quinolinone,5-nitro- are: (1)ACD/LogP: 1.47; (2)ACD/LogD (pH 5.5): 1.47; (3)ACD/LogD (pH 7.4): 1.47; (4)ACD/BCF (pH 5.5): 7.67; (5)ACD/BCF (pH 7.4): 7.67; (6)ACD/KOC (pH 5.5): 149.63; (7)ACD/KOC (pH 7.4): 149.53; (8)#H bond acceptors: 5; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 1; (11)Polar Surface Area: 66.13 Å2; (12)Index of Refraction: 1.636; (13)Molar Refractivity: 48.05 cm3; (14)Molar Volume: 133.9 cm3; (15)Polarizability: 19.05×10-24 cm3; (16)Surface Tension: 58.6 dyne/cm; (17)Density: 1.419 g/cm3; (18)Flash Point: 209.1 °C; (19)Enthalpy of Vaporization: 67.63 kJ/mol; (20)Boiling Point: 422.1 °C at 760 mmHg; (21)Vapour Pressure: 2.47E-07 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1)InChI: InChI=1/C9H6N2O3/c12-9-5-4-6-7(10-9)2-1-3-8(6)11(13)14/h1-5H,(H,10,12)
(2)InChIKey: NRZABPOFVNBWMI-UHFFFAOYAE
(3)Std. InChI: InChI=1S/C9H6N2O3/c12-9-5-4-6-7(10-9)2-1-3-8(6)11(13)14/h1-5H,(H,10,12)
(4)Std. InChIKey: NRZABPOFVNBWMI-UHFFFAOYSA-N

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