4-(4-Fluorophenyl)-7-hydroxy-2H-1-benzopyran-2-one supplier

Name
2H-1-Benzopyran-2-one, 4-(4-fluorophenyl)-7-hydroxy-
EINECS
CAS No. 850881-86-6
Article Data5
CAS DataBase
Density 1.409 g/cm³
Solubility
Melting Point 280-281 °C
Formula C₁₅H₉FO₃
Boiling Point 451.529 °C at 760 mmHg
Molecular Weight 256.233
Flash Point 226.877 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 2H-1-Benzopyran-2-one, 4-(4-fluorophenyl)-7-hydroxy-;4-(4-Fluorophenyl)-7-hydroxy-2H-1-benzopyran-2-one;4-(4-Fluoro-phenyl)-7-hydroxy-chromen-2-one;4-(4-Fluorophenyl)-7-hydroxy-2H-chromen-2-one;4-(4-Fluorophenyl)-7-hydroxycouMarin
PSA 50.44000
LogP 3.30470

4-(4-Fluorophenyl)-7-hydroxy-2H-1-benzopyran-2-one Specification

This chemical is called 4-(4-Fluorophenyl)-7-hydroxy-2H-1-benzopyran-2-one. With the molecular formula of C₁₅H₉FO₃, its molecular weight is 256.23. The CAS registry number of this chemical is 850881-86-6, and its product category is API Intermediates.

Other characteristics of the 4-(4-Fluorophenyl)-7-hydroxy-2H-1-benzopyran-2-one can be summarised as followings: (1)ACD/LogP: 3.03; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.028; (4)ACD/LogD (pH 7.4): 2.857; (5)ACD/BCF (pH 5.5): 117.747; (6)ACD/BCF (pH 7.4): 79.309; (7)ACD/KOC (pH 5.5): 1054.948; (8)ACD/KOC (pH 7.4): 710.566; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 46.53 Å²; (13)Index of Refraction: 1.647; (14)Molar Refractivity: 66.082 cm³; (15)Molar Volume: 181.913 cm³; (16)Polarizability: 26.197×10^-24cm³; (17)Surface Tension: 56.309 dyne/cm; (18)Density: 1.409 g/cm³; (19)Flash Point: 226.877 °C; (20)Enthalpy of Vaporization: 73.79 kJ/mol; (21)Boiling Point: 451.529 °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(=O)oc3c2ccc(c3)O)F
2.InChI: InChI=1/C15H9FO3/c16-10-3-1-9(2-4-10)13-8-15(18)19-14-7-11(17)5-6-12(13)14/h1-8,17H
3.InChIKey: IFZWARQDKMDZNE-UHFFFAOYAG

Product Name

2H-1-Benzopyran-2-one, 4-(4-fluorophenyl)-7-hydroxy-

4-(4-Fluorophenyl)-7-hydroxy-2H-1-benzopyran-2-one Specification

Related Products

Hot Products