CAS No.31557-73-0,2-ETHYL-5-NITROPYRIDINE Suppliers

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Basic Information

Molecular Structure:
CAS No.:	31557-73-0
Name:	2-ETHYL-5-NITROPYRIDINE
Article Data:	7

Formula:	C₇H₈N₂O₂
Molecular Weight:	152.153
Synonyms:	2-Ethyl-5-nitropyridine;
Density:	1.195g/cm³
Boiling Point:	247.9 °C at 760 mmHg
Flash Point:	103.8 °C
PSA:	58.71000
LogP:	2.07540

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Specification

The 2-Ethyl-5-nitropyridine with cas registry number of 31557-73-0, has the systematic name of 2-ethyl-5-nitropyridine. And it is also called pyridine, 2-ethyl-5-nitro-.

Physical properties about this chemical are: (1)ACD/LogP: 1.56; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.56; (4)ACD/LogD (pH 7.4): 1.56; (5)ACD/BCF (pH 5.5): 8.97; (6)ACD/BCF (pH 7.4): 8.97; (7)ACD/KOC (pH 5.5): 167.33; (8)ACD/KOC (pH 7.4): 167.37; (9)#H bond acceptors: 4; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 58.71 Å²; (13)Index of Refraction: 1.548; (14)Molar Refractivity: 40.43 cm³; (15)Molar Volume: 127.3 cm³; (16)Polarizability: 16.03×10^-24cm³; (17)Surface Tension: 47 dyne/cm; (18)Enthalpy of Vaporization: 46.55 kJ/mol; (19)Vapour Pressure: 0.0393 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: [O-][N+](=O)c1cnc(cc1)CC
(2)InChI: InChI=1/C7H8N2O2/c1-2-6-3-4-7(5-8-6)9(10)11/h3-5H,2H2,1H3
(3)InChIKey: VUTMOONWKQEUBX-UHFFFAOYAY
(4)Std. InChI: InChI=1S/C7H8N2O2/c1-2-6-3-4-7(5-8-6)9(10)11/h3-5H,2H2,1H3
(5)Std. InChIKey: VUTMOONWKQEUBX-UHFFFAOYSA-N