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CAS No.: | 198821-78-2 |
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Name: | 5-(2-METHOXY-4-NITROPHENYL)OXAZOLE |
Article Data: | 13 |
Molecular Structure: | |
Formula: | C10H8N2O4 |
Molecular Weight: | 220.185 |
Synonyms: | 5-(2-Methoxy-4-nitrophenyl)-4-oxazole;5-(2-Methoxy-4-nitrophenyl)oxazole;5-(4-Nitro-2-methoxyphenyl)oxazole; |
Density: | 1.322 g/cm3 |
Boiling Point: | 355.214 °C at 760 mmHg |
Flash Point: | 168.627 °C |
PSA: | 81.08000 |
LogP: | 2.78160 |
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The Oxazole,5-(2-methoxy-4-nitrophenyl)-, with the CAS registry number 198821-78-2, is also known as 5-(2-Methoxy-4-nitrophenyl)-4-oxazole. This chemical's molecular formula is C10H8N2O4 and molecular weight is 220.18. What's more, its systematic name is called 5-(2-Methoxy-4-nitrophenyl)-1,3-oxazole.
Physical properties about Oxazole,5-(2-methoxy-4-nitrophenyl)- are: (1) ACD/LogP: 2.34; (2) # of Rule of 5 Violations: 0; (3) #H bond acceptors: 6; (4) #H bond donors: 0; (5) #Freely Rotating Bonds: 3; (6) Polar Surface Area: 81.08 Å2; (7) Index of Refraction: 1.568; (8) Molar Refractivity: 54.46 cm3; (9) Molar Volume: 166.58 cm3; (10) Surface Tension: 49.081 dyne/cm; (11) Density: 1.322 g/cm3; (12) Flash Point: 168.627 °C; (13) Enthalpy of Vaporization: 57.666 kJ/mol; (14) Boiling Point: 355.214 °C at 760 mmHg; (15) Vapour Pressure: 0 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: [O-][N+](=O)c2cc(OC)c(c1ocnc1)cc2
(2) InChI: InChI=1/C10H8N2O4/c1-15-9-4-7(12(13)14)2-3-8(9)10-5-11-6-16-10/h2-6H,1H3
(3) InChIKey: AOIXGUQZJVAHKJ-UHFFFAOYAT