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CAS No.: | 17969-25-4 |
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Name: | 2-(2-CHLOROPHENYL)-1,3-THIAZOL-4-YL]ACETIC ACID |
Molecular Structure: | |
Formula: | C11H8ClNO2S |
Molecular Weight: | 253.709 |
Synonyms: | 4-Thiazoleaceticacid, 2-(o-chlorophenyl)- (8CI); |
Density: | 1.434 g/cm3 |
Boiling Point: | 453.7 °C at 760 mmHg |
Flash Point: | 228.2 °C |
PSA: | 78.43000 |
LogP: | 3.09060 |
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The CAS register number of 4-Thiazoleacetic acid,2-(2-chlorophenyl)- is 17969-25-4. The systematic name about this chemical is [2-(2-chlorophenyl)-1,3-thiazol-4-yl]acetic acid. The molecular formula about this chemical is C11H8ClNO2S and the molecular weight is 253.70.
Physical properties about 4-Thiazoleacetic acid,2-(2-chlorophenyl)- are: (1)ACD/LogP: 2.70; (2)ACD/LogD (pH 5.5): 1; (3)ACD/LogD (pH 7.4):; (4)ACD/BCF (pH 5.5): 1.33; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 14.08; (7)ACD/KOC (pH 7.4): 1; (8)#H bond acceptors: 3; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 3; (11)Polar Surface Area: 67.43 Å2; (12)Index of Refraction: 1.635; (13)Molar Refractivity: 63.32 cm3; (14)Molar Volume: 176.8 cm3; (15)Polarizability: 25.1x10-24cm3; (16)Surface Tension: 60 dyne/cm; (17)Density: 1.434 g/cm3; (18)Flash Point: 228.2 °C; (19)Enthalpy of Vaporization: 75.15 kJ/mol; (20)Boiling Point: 453.7 °C at 760 mmHg; (21)Vapour Pressure: 5.06E-09 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1)SMILES: Clc1ccccc1c2nc(cs2)CC(=O)O
(2)InChI: InChI=1/C11H8ClNO2S/c12-9-4-2-1-3-8(9)11-13-7(6-16-11)5-10(14)15/h1-4,6H,5H2,(H,14,15)
(3)InChIKey: YHTKTBSWVKJNQG-UHFFFAOYAQ
(4)Std. InChI: InChI=1S/C11H8ClNO2S/c12-9-4-2-1-3-8(9)11-13-7(6-16-11)5-10(14)15/h1-4,6H,5H2,(H,14,15)
(5)Std. InChIKey: YHTKTBSWVKJNQG-UHFFFAOYSA-N