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| CAS No.: | 176961-50-5 |
|---|---|
| Name: | 2-(4-BROMO-PHENYL)-OXAZOLE |
| Article Data: | 6 |
| Molecular Structure: | |
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| Formula: | C9H6BrNO |
| Molecular Weight: | 224.057 |
| Synonyms: | 2-(4-Bromophenyl)-1,3-oxazole;2-(4-Bromophenyl)oxazole; |
| Density: | 1.525 g/cm3 |
| Boiling Point: | 296.613 °C at 760 mmHg |
| Flash Point: | 133.187 °C |
| PSA: | 26.03000 |
| LogP: | 3.10410 |
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- Total:24 Page 1 of 1 1
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Specification
This chemical is called Oxazole, 2-(4-bromophenyl)-, and its systematic name is 2-(4-bromophenyl)-1,3-oxazole. With the molecular formula of C9H6BrNO, its molecular weight is 224.05. The CAS registry number of this chemical is 176961-50-5.
Other characteristics of the Oxazole, 2-(4-bromophenyl)- can be summarised as followings: (1)ACD/LogP: 3.76; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3; (4)ACD/LogD (pH 7.4): 3; (5)ACD/BCF (pH 5.5): 190; (6)ACD/BCF (pH 7.4): 190; (7)ACD/KOC (pH 5.5): 1488; (8)ACD/KOC (pH 7.4): 1488; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 26.03 Å2; (13)Index of Refraction: 1.58; (14)Molar Refractivity: 48.926 cm3; (15)Molar Volume: 146.921 cm3; (16)Polarizability: 19.396×10-24cm3; (17)Surface Tension: 44.4 dyne/cm; (18)Density: 1.525 g/cm3; (19)Flash Point: 133.187 °C; (20)Enthalpy of Vaporization: 51.494 kJ/mol; (21)Boiling Point: 296.613 °C at 760 mmHg; (22)Vapour Pressure: 0.003 mmHg at 25°C.
You can still convert the following datas into molecular structure:
1.SMILES: Brc2ccc(c1ncco1)cc2
2.InChI: InChI=1/C9H6BrNO/c10-8-3-1-7(2-4-8)9-11-5-6-12-9/h1-6H
3.InChIKey: LAPKDKRJQXERIR-UHFFFAOYAZ