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CAS No.: | 863668-07-9 |
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Name: | 2-(4-FLUORO-PHENYL)-THIAZOLE-4-CARBOXYLIC ACID |
Article Data: | 2 |
Molecular Structure: | |
Formula: | C10H6FNO2S |
Molecular Weight: | 223.228 |
Synonyms: | 2-(4-Fluoro-phenyl)-thiazole-4-carboxylic acid; |
Density: | 1.447 g/cm3 |
Boiling Point: | 412.3 °C at 760 mmHg |
Flash Point: | 203.1 °C |
PSA: | 78.43000 |
LogP: | 2.64740 |
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The 4-Thiazolecarboxylicacid, 2-(4-fluorophenyl)-, with the CAS registry number of 863668-07-9, is also known as 2-(4-Fluoro-phenyl)-thiazole-4-carboxylic acid. This chemical's molecular formula is C10H6FNO2S and molecular weight is 223.22. What's more, its systematic name is called 2-(4-Fluorophenyl)-1, 3-thiazole-4-carboxylic acid.
Physical properties about 4-Thiazolecarboxylicacid, 2-(4-fluorophenyl)- are: (1)ACD/LogP: 3.14; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.05; (4)ACD/LogD (pH 7.4): 0.04; (5)ACD/BCF (pH 5.5): 1.17; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 9.91; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 67.43 Å2; (13)Index of Refraction: 1.621; (14)Molar Refractivity: 54.24 cm3; (15)Molar Volume: 154.1 cm3; (16)Polarizability: 21.5×10-24 cm3; (17)Surface Tension: 58.9 dyne/cm; (18)Density: 1.447 g/cm3; (19)Flash Point: 203.1 °C; (20)Enthalpy of Vaporization: 70.1 kJ/mol; (21)Boiling Point: 412.3 °C at 760 mmHg; (22)Vapour Pressure: 1.55E-07 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1) SMILES: Fc2ccc(c1nc(cs1)C(=O)O)cc2
(2) InChI: InChI=1/C10H6FNO2S/c11-7-3-1-6(2-4-7)9-12-8(5-15-9)10(13)14/h1-5H,(H,13,14)
(3) InChIKey: VVZKBCLSODNUDS-UHFFFAOYAF