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| CAS No.: | 97608-11-2 |
|---|---|
| Name: | 2-NITRO-5-PHENYLPYRIDINE |
| Article Data: | 5 |
| Molecular Structure: | |
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| Formula: | C11H8N2O2 |
| Molecular Weight: | 200.197 |
| Synonyms: | 2-Nitro-5-phenylpyridine; |
| Density: | 1.252g/cm3 |
| Melting Point: | 116 °C |
| Boiling Point: | 383.3 °C at 760 mmHg |
| Flash Point: | 185.6 °C |
| PSA: | 58.71000 |
| LogP: | 3.18000 |
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Specification
The Pyridine,2-nitro-5-phenyl-, with CAS registry number 97608-11-2, has the systematic name of 2-nitro-5-phenylpyridine. Its molecular weight is 200.19. And the chemical formula of this chemical is C11H8N2O2.
Physical properties of Pyridine,2-nitro-5-phenyl-: (1)ACD/LogP: 2.34; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.34; (4)ACD/LogD (pH 7.4): 2.34; (5)ACD/BCF (pH 5.5): 35.34; (6)ACD/BCF (pH 7.4): 35.34; (7)ACD/KOC (pH 5.5): 446.55; (8)ACD/KOC (pH 7.4): 446.55; (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: 1.611; (14)Molar Refractivity: 55.48 cm3; (15)Molar Volume: 159.7 cm3; (16)Polarizability: 21.99×10-24cm3; (17)Surface Tension: 52.5 dyne/cm; (18)Density: 1.252 g/cm3; (19)Flash Point: 185.6 °C; (20)Enthalpy of Vaporization: 60.71 kJ/mol; (21)Boiling Point: 383.3 °C at 760 mmHg; (22)Vapour Pressure: 9.76E-06 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: O=[N+]([O-])c2ncc(c1ccccc1)cc2
(2)InChI: InChI=1/C11H8N2O2/c14-13(15)11-7-6-10(8-12-11)9-4-2-1-3-5-9/h1-8H
(3)InChIKey: YPQXIVFXNVCVFI-UHFFFAOYAQ
(4)Std. InChI: InChI=1S/C11H8N2O2/c14-13(15)11-7-6-10(8-12-11)9-4-2-1-3-5-9/h1-8H
(5)Std. InChIKey: YPQXIVFXNVCVFI-UHFFFAOYSA-N