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| CAS No.: | 129053-70-9 |
|---|---|
| Name: | 2-bromo-5-phenyl-1,3-oxazole |
| Article Data: | 3 |
| Molecular Structure: | |
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| Formula: | C9H6BrNO |
| Molecular Weight: | 224.057 |
| Synonyms: | 2-bromo-5-phenyl-1,3-oxazole; |
| Density: | 1.524±0.06 g/cm3(Predicted) |
| Boiling Point: | 327.9±35.0 °C(Predicted) |
| PSA: | 26.03000 |
| LogP: | 3.10410 |
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Specification
The Oxazole,2-bromo-5-phenyl-, with CAS registry number 129053-70-9, has the systematic name of 2-bromo-5-phenyl-oxazole. Besides this, it is also called 2-bromo-5-phenyl-1,3-oxazole. Its molecular weight is 224.05404. And the chemical formula of this chemical is C9H6BrNO.
Preparation: this chemical can be prepared by (3-bromo-[1,2,4]triazol-1-yl)-phenyl-methanone. This reaction temperature is 800 ℃. The yield is about 70%.
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You can still convert the following datas into molecular structure:
(1)SMILES: c1ccc(cc1)c2cnc(o2)Br
(2)InChI: InChI=1/C9H6BrNO/c10-9-11-6-8(12-9)7-4-2-1-3-5-7/h1-6H
(3)InChIKey: KJUQKWSZCIOQKY-UHFFFAOYAN
(4)Std. InChI: InChI=1S/C9H6BrNO/c10-9-11-6-8(12-9)7-4-2-1-3-5-7/h1-6H
(5)Std. InChIKey: KJUQKWSZCIOQKY-UHFFFAOYSA-N