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| CAS No.: | 221347-71-3 |
|---|---|
| Name: | 5-Fluorobenzoxazole |
| Article Data: | 8 |
| Molecular Structure: | |
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| Formula: | C7H4FNO |
| Molecular Weight: | 137.113 |
| Synonyms: | 5-Fluorobenzoxazole;2-Chloro-6-methyl-4-(trifluoromethyl)pyridine; |
| Density: | 1.321 g/cm3 |
| Boiling Point: | 188.186 °C at 760 mmHg |
| Flash Point: | 67.613 °C |
| PSA: | 26.03000 |
| LogP: | 1.96690 |
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- Total:34 Page 1 of 1 1
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Specification
The 5-Fluorobenzoxazole with the cas number 221347-71-3 is also called Benzoxazole, 5-fluoro-. The systematic name is 5-fluoro-1,3-benzoxazole. Its molecular formula is C7H4FNO. This chemical belongs to the following product categories: (1)halide; (2)API intermediates.
The properties of the chemical are: (1)ACD/LogP: 1.74; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2; (4)ACD/LogD (pH 7.4): 2; (5)ACD/BCF (pH 5.5): 10; (6)ACD/BCF (pH 7.4): 10; (7)ACD/KOC (pH 5.5): 186; (8)ACD/KOC (pH 7.4): 186; (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: 1.579; (14)Molar Refractivity: 34.48 cm3; (15)Molar Volume: 103.777 cm3; (16)Polarizability: 13.669×10-24cm3; (17)Surface Tension: 43.397 dyne/cm; (18)Enthalpy of Vaporization: 40.702 kJ/mol; (19)Vapour Pressure: 0.837 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: Fc1cc2ncoc2cc1
(2)InChI: InChI=1/C7H4FNO/c8-5-1-2-7-6(3-5)9-4-10-7/h1-4H
(3)InChIKey: ZRMPAEOUOPNNPZ-UHFFFAOYAN