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CAS No.: | 206055-89-2 |
---|---|
Name: | [3-(4-FLUORO-PHENYL)-ISOXAZOL-5-YL]-METHANOL |
Article Data: | 15 |
Molecular Structure: | |
Formula: | C10H8FNO2 |
Molecular Weight: | 193.177 |
Synonyms: | [3-(4-Fluorophenyl)isoxazol-5-yl]methanol; |
Density: | 1.299 g/cm3 |
Boiling Point: | 358.46 °C at 760 mmHg |
Flash Point: | 170.591 °C |
PSA: | 46.26000 |
LogP: | 1.97300 |
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The CAS registry number of 5-Isoxazolemethanol,3-(4-fluorophenyl)- is 206055-89-2. The IUPAC name is 1-(3-bromoisoxazol-5-yl)methanamine. In addition, the formula is C10H8FNO2 and the molecular weight is 193.1744. It has irritant.
Physical properties about 5-Isoxazolemethanol,3-(4-fluorophenyl)- are: (1)ACD/LogP: 2.75; (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): 72; (6)ACD/BCF (pH 7.4): 72; (7)ACD/KOC (pH 5.5): 741; (8)ACD/KOC (pH 7.4): 741; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 46.26 Å2; (13)Index of Refraction: 1.554; (14)Molar Refractivity: 47.681 cm3; (15)Molar Volume: 148.763 cm3; (16)Polarizability: 18.902 ×10-24cm3; (17)Surface Tension: 46.959 dyne/cm; (18)Density: 1.299 g/cm3; (19)Flash Point: 170.591 °C; (20)Enthalpy of Vaporization: 63.727 kJ/mol; (21)Boiling Point: 358.46 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: c1cc(ccc1c2cc(on2)CO)F
(2)InChI: InChI=1/C10H8FNO2/c11-8-3-1-7(2-4-8)10-5-9(6-13)14-12-10/h1-5,13H,6H2
(3)InChIKey: AXHZYGAOISWOLE-UHFFFAOYAN