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Basic Information
CAS No.: 82131-87-1
Name: 8-[(2-Nitrobenzyl)oxy]quinoline
Molecular Structure:
Molecular Structure of 82131-87-1 (8-[(2-Nitrobenzyl)oxy]quinoline)
Formula: C16H12N2O3
Molecular Weight: 280.283
Synonyms: Quinoline, 8-((2-nitrophenyl)methoxy)-;8-[(2-nitrophenyl)methoxy]quinoline;
Density: 1.313 g/cm3
Melting Point: 151-153 °C
Boiling Point: 462.8 °C at 760 mmHg
Flash Point: 233.7 °C
PSA: 67.94000
LogP: 4.24520
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Specification

The 8-[(2-Nitrobenzyl)oxy]quinoline, with the CAS registry number 82131-87-1, is also known as Quinoline, 8-((2-nitrophenyl)methoxy)-. This chemical's molecular formula is C16H12N2O3 and molecular weight is 280.29. Its IUPAC name is called 8-[(2-nitrophenyl)methoxy]quinoline.

Physical properties of 8-[(2-Nitrobenzyl)oxy]quinoline: (1)ACD/LogP: 3.23; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.22; (4)ACD/LogD (pH 7.4): 3.23; (5)ACD/BCF (pH 5.5): 165.73; (6)ACD/BCF (pH 7.4): 166.45; (7)ACD/KOC (pH 5.5): 1348.09; (8)ACD/KOC (pH 7.4): 1353.93; (9)#H bond acceptors: 5; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 4; (12)Index of Refraction: 1.672; (13)Molar Refractivity: 79.89 cm3; (14)Molar Volume: 213.3 cm3; (15)Surface Tension: 58.3 dyne/cm; (16)Density: 1.313 g/cm3; (17)Flash Point: 233.7 °C; (18)Enthalpy of Vaporization: 69.62 kJ/mol; (19)Boiling Point: 462.8 °C at 760 mmHg; (20)Vapour Pressure: 2.65E-08 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C1=CC=C(C(=C1)COC2=CC=CC3=C2N=CC=C3)[N+](=O)[O-]
(2)InChI: InChI=1S/C16H12N2O3/c19-18(20)14-8-2-1-5-13(14)11-21-15-9-3-6-12-7-4-10-17-16(12)15/h1-10H,11H2
(3)InChIKey: DMLVEQQZVAXREO-UHFFFAOYSA-N