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| CAS No.: | 1065073-37-1 |
|---|---|
| Name: | 4-Bromomethyloxazole |
| Article Data: | 4 |
| Molecular Structure: | |
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| Formula: | C4H4BrNO |
| Molecular Weight: | 161.986 |
| Synonyms: | 4-(Bromomethyl)-1,3-oxazole; |
| Density: | 1.706 g/cm3 |
| Boiling Point: | 192.6 °C at 760 mmHg |
| Flash Point: | 70.3 °C |
| PSA: | 26.03000 |
| LogP: | 1.56950 |
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- Total:23 Page 1 of 1 1
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Specification
The 4-Bromomethyloxazole, with the CAS registry number of 1065073-37-1, is also known as 4-(Bromomethyl)-1,3-oxazole. Its molecular formula is C4H4BrNO and molecular weight is 161.9847. What's more, its systematic name is 4-(Bromomethyl)oxazole.
Physical properties about the 4-Bromomethyloxazole are: (1)ACD/LogP: 0.82; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.82; (4)ACD/LogD (pH 7.4): 0.82; (5)#H bond acceptors: 2; (6)#H bond donors: 0; (7)#Freely Rotating Bonds: 1; (8)Polar Surface Area: 26.03 Å2; (9)Index of Refraction: 1.529; (10)Molar Refractivity: 29.29 cm3; (11)Molar Volume: 94.9 cm3; (12)Surface Tension: 43.8 dyne/cm; (13)Density: 1.706 g/cm3; (14)Flash Point: 70.3 °C; (15)Enthalpy of Vaporization: 41.13 kJ/mol; (16)Boiling Point: 192.6 °C at 760 mmHg; (17)Vapour Pressure: 0.675 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: c1c(nco1)CBr
(2) InChI: InChI=1/C4H4BrNO/c5-1-4-2-7-3-6-4/h2-3H,1H2
(3) InChIKey: QUAHYLYAIBFWNF-UHFFFAOYAN