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Pyridine,2-(4-methoxyphenoxy)-3-nitro-

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Name

Pyridine,2-(4-methoxyphenoxy)-3-nitro-

EINECS N/A
CAS No. 76893-48-6 Density 1.302 g/cm3
PSA 77.17000 LogP 3.31390
Solubility N/A Melting Point 95 °C
Formula C12H10N2O4 Boiling Point 368.8 °C at 760 mmHg
Molecular Weight 246.222 Flash Point 176.9 °C
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 76893-48-6 (2-(4-METHOXYPHENOXY)-3-NITROPYRIDINE) Hazard Symbols N/A
Synonyms

2-(4-Methoxyphenoxy)-3-nitropyridine;

Article Data 3

Pyridine,2-(4-methoxyphenoxy)-3-nitro- Specification

The Pyridine,2-(4-methoxyphenoxy)-3-nitro- is an organic compound with the formula C12H10N2O4. With the CAS registry number 76893-48-6, the systematic name of this chemical is 2-(4-methoxyphenoxy)-3-nitropyridine.

Physical properties about Pyridine,2-(4-methoxyphenoxy)-3-nitro- are: (1)ACD/LogP: 1.32; (2)ACD/LogD (pH 5.5): 1.31; (3)ACD/LogD (pH 7.4): 1.31; (4)ACD/BCF (pH 5.5): 5.88; (5)ACD/BCF (pH 7.4): 5.88; (6)ACD/KOC (pH 5.5): 123.63; (7)ACD/KOC (pH 7.4): 123.63; (8)#H bond acceptors: 6; (9)#Freely Rotating Bonds: 4; (10)Polar Surface Area: 77.17 Å2; (11)Index of Refraction: 1.592; (12)Molar Refractivity: 64.01 cm3; (13)Molar Volume: 189 cm3; (14)Polarizability: 25.37×10-24cm3; (15)Surface Tension: 50.7 dyne/cm; (16)Density: 1.302 g/cm3; (17)Flash Point: 176.9 °C; (18)Enthalpy of Vaporization: 59.13 kJ/mol; (19)Boiling Point: 368.8 °C at 760 mmHg; (20)Vapour Pressure: 2.63E-05 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: [O-][N+](=O)c2cccnc2Oc1ccc(OC)cc1
(2)InChI: InChI=1/C12H10N2O4/c1-17-9-4-6-10(7-5-9)18-12-11(14(15)16)3-2-8-13-12/h2-8H,1H3
(3)InChIKey: RRWDAVSBLSUVEI-UHFFFAOYAS
(4)Std. InChI: InChI=1S/C12H10N2O4/c1-17-9-4-6-10(7-5-9)18-12-11(14(15)16)3-2-8-13-12/h2-8H,1H3
(5)Std. InChIKey: RRWDAVSBLSUVEI-UHFFFAOYSA-N

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