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36093-99-9

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Basic Information
CAS No.: 36093-99-9
Name: [2-(4-CHLORO-PHENYL)-THIAZOL-4-YL]-METHANOL
Article Data: 9
Molecular Structure:
Molecular Structure of 36093-99-9 ([2-(4-CHLORO-PHENYL)-THIAZOL-4-YL]-METHANOL)
Formula: C10H8ClNOS
Molecular Weight: 225.699
Synonyms: 2-(4-Chlorophenyl)-4-hydroxymethylthiazole;
Density: 1.383 g/cm3
Boiling Point: 396 °C at 760 mmHg
Flash Point: 193.3 °C
PSA: 61.36000
LogP: 2.95580
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Specification

The 4-Thiazolemethanol,2-(4-chlorophenyl)- is the organic compound with the formula C10H8ClNOS. With the CAS registry number 36093-99-9, its systematic name is [2-(4-chlorophenyl)-1,3-thiazol-4-yl]methanol.

Physical properties of 4-Thiazolemethanol,2-(4-chlorophenyl)-: (1)ACD/LogP: 2.82; (2)ACD/LogD (pH 5.5): 2.82; (3)ACD/LogD (pH 7.4): 2.82; (4)ACD/BCF (pH 5.5): 81.84; (5)ACD/BCF (pH 7.4): 81.85; (6)ACD/KOC (pH 5.5): 814.56; (7)ACD/KOC (pH 7.4): 814.6; (8)#H bond acceptors: 2; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 3; (11)Index of Refraction: 1.638; (12)Molar Refractivity: 58.66 cm3; (13)Molar Volume: 163.1 cm3; (14)Surface Tension: 56.4 dyne/cm; (15)Density: 1.383 g/cm3; (16)Flash Point: 193.3 °C; (17)Enthalpy of Vaporization: 68.15 kJ/mol; (18)Boiling Point: 396 °C at 760 mmHg; (19)Vapour Pressure: 5.57E-07 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: Clc2ccc(c1nc(cs1)CO)cc2
(2)InChI: InChI=1/C10H8ClNOS/c11-8-3-1-7(2-4-8)10-12-9(5-13)6-14-10/h1-4,6,13H,5H2
(3)InChIKey: GGAMZEDLVRNGBN-UHFFFAOYAX