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| CAS No.: | 217326-65-3 |
|---|---|
| Name: | 4-Bromobenzo[d]oxazole |
| Article Data: | 4 |
| Molecular Structure: | |
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| Formula: | C7H4BrNO |
| Molecular Weight: | 198.019 |
| Synonyms: | Benzoxazole,4-broMo- |
| Density: | 1.71 g/cm3 |
| Boiling Point: | 251.2 °C at 760 mmHg |
| Flash Point: | 105.7 °C |
| PSA: | 26.03000 |
| LogP: | 2.59030 |
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- Total:23 Page 1 of 1 1
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Specification
The 4-Bromobenzo[d]oxazole, with CAS registry number 217326-65-3, has the systematic name of 4-bromo-1,3-benzoxazole. Besides this, it is also called 4-Bromobenzo[d]oxazole. And the chemical formula of this chemical is C7H4BrNO. Its molecular weight is 198.02.
Physical properties of 4-Bromobenzo[d]oxazole: (1)ACD/LogP: 2.36; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.36; (4)ACD/LogD (pH 7.4): 2.36; (5)ACD/BCF (pH 5.5): 36.72; (6)ACD/BCF (pH 7.4): 36.72; (7)ACD/KOC (pH 5.5): 458.96; (8)ACD/KOC (pH 7.4): 458.96; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 26.03 Å2; (13)Index of Refraction: 1.649; (14)Molar Refractivity: 42.17 cm3; (15)Molar Volume: 115.7 cm3; (16)Polarizability: 16.72×10-24cm3; (17)Surface Tension: 51.2 dyne/cm; (18)Density: 1.71 g/cm3; (19)Flash Point: 105.7 °C; (20)Enthalpy of Vaporization: 46.87 kJ/mol; (21)Boiling Point: 251.2 °C at 760 mmHg; (22)Vapour Pressure: 0.033 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: Brc2cccc1ocnc12
(2)InChI: InChI=1/C7H4BrNO/c8-5-2-1-3-6-7(5)9-4-10-6/h1-4H
(3)InChIKey: WFIQVHAZXAORPG-UHFFFAOYAG