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CAS No.: | 220952-00-1 |
---|---|
Name: | 3-NITRO-4-PHENYLPYRIDINE |
Article Data: | 7 |
Molecular Structure: | |
Formula: | C11H8N2O2 |
Molecular Weight: | 200.197 |
Synonyms: | 3-NITRO-4-PHENYLPYRIDINE;3-Nitro-4-phenypyridine |
Density: | 1.252 g/cm3 |
Boiling Point: | 324.9 °C at 760 mmHg |
Flash Point: | 150.3 °C |
PSA: | 58.71000 |
LogP: | 3.18000 |
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The Pyridine,3-nitro-4-phenyl- has CAS registry number 220952-00-1. This chemical's molecular formula is C11H8N2O2 and molecular weight is 200.19. What's more, its systematic name is 3-Nitro-4-phenylpyridine.
Physical properties about the Pyridine,3-nitro-4-phenyl- are: (1)ACD/LogP: 2.25; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.25; (4)ACD/LogD (pH 7.4): 2.25; (5)ACD/BCF (pH 5.5): 29.99; (6)ACD/BCF (pH 7.4): 29.99; (7)ACD/KOC (pH 5.5): 397.04; (8)ACD/KOC (pH 7.4): 397.07; (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)Surface Tension: 52.5 dyne/cm; (17)Density: 1.252 g/cm3; (18)Flash Point: 150.3 °C; (19)Enthalpy of Vaporization: 54.44 kJ/mol; (20)Boiling Point: 324.9 °C at 760 mmHg; (21)Vapour Pressure: 0.000451 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: O=[N+]([O-])c2c(c1ccccc1)ccnc2
(2) InChI: InChI=1/C11H8N2O2/c14-13(15)11-8-12-7-6-10(11)9-4-2-1-3-5-9/h1-8H
(3) InChIKey: GBBDSKNQVRTSDL-UHFFFAOYAY