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17969-25-4

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Basic Information
CAS No.: 17969-25-4
Name: 2-(2-CHLOROPHENYL)-1,3-THIAZOL-4-YL]ACETIC ACID
Molecular Structure:
Molecular Structure of 17969-25-4 (2-(2-CHLOROPHENYL)-1,3-THIAZOL-4-YL]ACETIC ACID)
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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Specification

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