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Name |
4-Isoxazolemethanol,3-(4-fluorophenyl)-5-methyl- |
EINECS | N/A |
CAS No. | 1018297-63-6 | Density | 1.255 g/cm3 |
PSA | 46.26000 | LogP | 2.28140 |
Solubility | N/A | Melting Point |
N/A |
Formula | C11H10FNO2 | Boiling Point | 378.549 °C at 760 mmHg |
Molecular Weight | 207.204 | Flash Point | 182.74 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
[3-(4-Fluorophenyl)-5-methylisoxazol-4-yl]methanol; |
Article Data | 6 |
This chemical is called 4-Isoxazolemethanol,3-(4-fluorophenyl)-5-methyl-, and its systematic name is [3-(4-Fluorophenyl)-5-methyl-1,2-oxazol-4-yl]methanol. With the molecular formula of C11H10FNO2, its molecular weight is 207.201. The CAS registry number of this chemical is 1018297-63-6.
Other characteristics of the 4-Isoxazolemethanol,3-(4-fluorophenyl)-5-methyl- can be summarised as followings: (1)ACD/LogP: 3.40; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.4; (4)ACD/LogD (pH 7.4): 3.4; (5)ACD/BCF (pH 5.5): 226.099; (6)ACD/BCF (pH 7.4): 226.099; (7)ACD/KOC (pH 5.5): 1685.83; (8)ACD/KOC (pH 7.4): 1685.828; (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: 1.549; (14)Molar Refractivity: 52.506 cm3; (15)Molar Volume: 165.038 cm3; (16)Polarizability: 20.815.×10-24cm3; (17)Surface Tension: 44.839 dyne/cm; (18)Density: 1.255 g/cm3; (19)Flash Point: 182.74 °C; (20)Enthalpy of Vaporization: 66.084 kJ/mol; (21)Boiling Point: 378.549 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25°C.
You can still convert the following datas into molecular structure:
1.SMILES: Cc1c(c(no1)c2ccc(cc2)F)CO
2.InChI: InChI=1/C11H10FNO2/c1-7-10(6-14)11(13-15-7)8-2-4-9(12)5-3-8/h2-5,14H,6H2,1H3
3.InChIKey: YTPVTPNVCHCMAT-UHFFFAOYAA