4-Isoxazolemethanol,3-(4-fluorophenyl)-5-methyl- supplier

Name
3-(4-fluorophenyl)-5-Methyl-4-IsoxazoleMethanol
EINECS
CAS No. 1018297-63-6
Article Data6
CAS DataBase
Density 1.255 g/cm³
Solubility
Melting Point
Formula C₁₁H₁₀FNO₂
Boiling Point 378.549 °C at 760 mmHg
Molecular Weight 207.204
Flash Point 182.74 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms [3-(4-Fluorophenyl)-5-methylisoxazol-4-yl]methanol;
PSA 46.26000
LogP 2.28140

4-Isoxazolemethanol,3-(4-fluorophenyl)-5-methyl- Specification

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

Product Name

3-(4-fluorophenyl)-5-Methyl-4-IsoxazoleMethanol

4-Isoxazolemethanol,3-(4-fluorophenyl)-5-methyl- Specification

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