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CAS No.: | 28355-48-8 |
---|---|
Name: | 2-(3-NITROPHENOXY)PYRIDINE 97+% |
Article Data: | 4 |
Molecular Structure: | |
Formula: | C11H8N2O3 |
Molecular Weight: | 216.196 |
Synonyms: | Pyridine,2-(m-nitrophenoxy)- (8CI); |
Density: | 1.309g/cm3 |
Melting Point: | 93-95 °C |
Boiling Point: | 347.4 °C at 760 mmHg |
Flash Point: | 163.9 °C |
PSA: | 67.94000 |
LogP: | 3.30530 |
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The Pyridine,2-(3-nitrophenoxy)-, with CAS registry number 28355-48-8, has the systematic name of 2-(3-nitrophenoxy)pyridine. Besides this, it is also called 2-(3-nitrophenoxy)pyridine. Its molecular weight is 216.19282. And the chemical formula of this chemical is C11H8N2O3.
Physical properties of Pyridine,2-(3-nitrophenoxy)-: (1)ACD/LogP: 2.53; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.53; (4)ACD/LogD (pH 7.4): 2.53; (5)ACD/BCF (pH 5.5): 49; (6)ACD/BCF (pH 7.4): 49.02; (7)ACD/KOC (pH 5.5): 564.11; (8)ACD/KOC (pH 7.4): 564.41; (9)#H bond acceptors: 5; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 67.94 Å2; (13)Index of Refraction: 1.611; (14)Molar Refractivity: 57.33 cm3; (15)Molar Volume: 165 cm3; (16)Polarizability: 22.72×10-24cm3; (17)Surface Tension: 54.2 dyne/cm; (18)Density: 1.309 g/cm3; (19)Flash Point: 163.9 °C; (20)Enthalpy of Vaporization: 56.83 kJ/mol; (21)Boiling Point: 347.4 °C at 760 mmHg; (22)Vapour Pressure: 0.000108 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: [O-][N+](=O)c2cc(Oc1ccccn1)ccc2
(2)InChI: InChI=1/C11H8N2O3/c14-13(15)9-4-3-5-10(8-9)16-11-6-1-2-7-12-11/h1-8H
(3)InChIKey: CYAZJQRAXUNGCO-UHFFFAOYAU
(4)Std. InChI: InChI=1S/C11H8N2O3/c14-13(15)9-4-3-5-10(8-9)16-11-6-1-2-7-12-11/h1-8H
(5)Std. InChIKey: CYAZJQRAXUNGCO-UHFFFAOYSA-N