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Quinoline, 3-nitro-

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Name

Quinoline, 3-nitro-

EINECS N/A
CAS No. 17576-53-3 Density 1.354 g/cm3
PSA 58.71000 LogP 2.66620
Solubility N/A Melting Point 128 °C
Formula C9H6N2O2 Boiling Point 317.4 °C at 760 mmHg
Molecular Weight 174.159 Flash Point 145.8 °C
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 17576-53-3 (3-Nitroquinoline) Hazard Symbols N/A
Synonyms

3-Nitroquinoline;3-Nitro Quinoline;

Article Data 3

Quinoline, 3-nitro- Specification

The Quinoline, 3-nitro-, with the CAS registry number 17576-53-3, has the systematic name and IUPAC name of 3-nitroquinoline. It is a kind of organics, and should be stored in the dry and cool environment. And the molecular formula of the chemical is C9H6N2O2.

The characteristics of Quinoline, 3-nitro- are as followings: (1)ACD/LogP: 1.97; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.97; (4)ACD/LogD (pH 7.4): 1.97; (5)ACD/BCF (pH 5.5): 18.5; (6)ACD/BCF (pH 7.4): 18.5; (7)ACD/KOC (pH 5.5): 280.97; (8)ACD/KOC (pH 7.4): 280.98; (9)#H bond acceptors: 4; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 58.71 Å2; (13)Index of Refraction: 1.682; (14)Molar Refractivity: 48.73 cm3; (15)Molar Volume: 128.6 cm3; (16)Polarizability: 19.31×10-24cm3; (17)Surface Tension: 61.8 dyne/cm; (18)Density: 1.354 g/cm3; (19)Flash Point: 145.8 °C; (20)Enthalpy of Vaporization: 53.66 kJ/mol; (21)Boiling Point: 317.4 °C at 760 mmHg; (22)Vapour Pressure: 0.000718 mmHg at 25°C.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: [O-][N+](=O)c1cc2ccccc2nc1
(2)InChI: InChI=1/C9H6N2O2/c12-11(13)8-5-7-3-1-2-4-9(7)10-6-8/h1-6H
(3)InChIKey: ZXVRNZRQQRBDLX-UHFFFAOYAL

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