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Basic Information
CAS No.: 161871-65-4
Name: 1-(3-NITRO-4-PYRIDINYL)-ETHANONE
Molecular Structure:
Molecular Structure of 161871-65-4 (1-(3-NITRO-4-PYRIDINYL)-ETHANONE)
Formula: C7H6N2O3
Molecular Weight: 166.136
Synonyms: 4-Acetyl-3-nitropyridine;
Density: 1.318 g/cm3
Boiling Point: 309.8 °C at 760 mmHg
Flash Point: 141.2 °C
PSA: 75.78000
LogP: 1.71560
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Specification

The Ethanone,1-(3-nitro-4-pyridinyl)- is an organic compound with the formula C7H6N2O3. The IUPAC name of this chemical is 1-(3-Nitropyridin-4-yl)ethanone. With the CAS registry number 161871-65-4, it is also named as 1-(3-Nitro-4-pyridinyl)-ethanone. The product's categories are Acetylgroup; Pyridines. Besides, its molecular weight is 166.13.

Physical properties about Ethanone,1-(3-nitro-4-pyridinyl)- are: (1)ACD/LogP: -0.04; (2)ACD/LogD (pH 5.5): -0.04; (3)ACD/LogD (pH 7.4): -0.04; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 22.73; (7)ACD/KOC (pH 7.4): 22.73; (8)#H bond acceptors: 5; (9)#Freely Rotating Bonds: 2; (10)Polar Surface Area: 75.78 Å2; (11)Index of Refraction: 1.562; (12)Molar Refractivity: 40.91 cm3; (13)Molar Volume: 126 cm3; (14)Polarizability: 16.22×10-24 cm3; (15)Surface Tension: 54.2 dyne/cm; (16)Density: 1.318 g/cm3; (17)Flash Point: 141.2 °C; (18)Enthalpy of Vaporization: 55.06 kJ/mol; (19)Boiling Point: 309.8 °C at 760 mmHg; (20)Vapour Pressure: 0.000623 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1)InChI: InChI=1/C7H6N2O3/c1-5(10)6-2-3-8-4-7(6)9(11)12/h2-4H,1H3
(2)InChIKey: WJBPEUKZXRFJDM-UHFFFAOYAU
(3)Std. InChI: InChI=1S/C7H6N2O3/c1-5(10)6-2-3-8-4-7(6)9(11)12/h2-4H,1H3
(4)Std. InChIKey: WJBPEUKZXRFJDM-UHFFFAOYSA-N