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CAS No.: | 89808-75-3 |
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Name: | 5-(2-NITROPHENYL)-1,3-OXAZOLE |
Article Data: | 5 |
Molecular Structure: | |
Formula: | C9H6N2O3 |
Molecular Weight: | 190.158 |
Synonyms: | 5-(2-Nitrophenyl)oxazole;5-(o-Nitrophenyl)oxazole; |
Density: | 1.333 g/cm3 |
Boiling Point: | 334.3 °C at 760 mmHg |
Flash Point: | 156 °C |
Hazard Symbols: | Xi |
PSA: | 71.85000 |
LogP: | 2.77300 |
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The Oxazole, 5-(2-nitrophenyl)-, with the CAS registry number of 89808-75-3, is also known as 5-(2-Nitrophenyl)oxazole. This chemical's molecular formula is C9H6N2O3 and molecular weight is 190.16. What's more, its systematic name is 5-(2-Nitrophenyl)-1, 3-oxazole. In addition, this chemical may cause inflammation to the skin or other mucous membranes.
Physical properties about Oxazole, 5-(2-nitrophenyl)- are: (1)ACD/LogP: 1.43; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.42; (4)ACD/LogD (pH 7.4): 1.42; (5)ACD/BCF (pH 5.5): 7.12; (6)ACD/BCF (pH 7.4): 7.12; (7)ACD/KOC (pH 5.5): 141.91; (8)ACD/KOC (pH 7.4): 141.91; (9)#H bond acceptors: 5; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 71.85 Å2; (13)Index of Refraction: 1.584; (14)Molar Refractivity: 47.78 cm3; (15)Molar Volume: 142.5 cm3; (16)Surface Tension: 52.7 dyne/cm; (17)Density: 1.333 g/cm3; (18)Flash Point: 156 °C; (19)Enthalpy of Vaporization: 55.43 kJ/mol; (20)Boiling Point: 334.3 °C at 760 mmHg; (21)Vapour Pressure: 0.000251 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: [O-][N+](=O)c1ccccc1c2ocnc2
(2) InChI: InChI=1/C9H6N2O3/c12-11(13)8-4-2-1-3-7(8)9-5-10-6-14-9/h1-6H
(3) InChIKey: PUDNRGZVFKPHNG-UHFFFAOYAB