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CAS No.: | 257876-07-6 |
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Name: | 2-(2,3-DICHLORO-PHENYL)-THIAZOLE-4-CARBOXYLIC ACID |
Article Data: | 3 |
Molecular Structure: | |
Formula: | C10H5Cl2NO2S |
Molecular Weight: | 274.127 |
Synonyms: | 2-(2,3-DICHLORO-PHENYL)-THIAZOLE-4-CARBOXYLIC ACID;2-(2,3-DICHLOROPHENYL)-1,3-THIAZOLE-4-CARBOXYLIC ACID |
Density: | 1.576 g/cm3 |
Melting Point: | 233 °C |
Boiling Point: | 487.5 °C at 760 mmHg |
Flash Point: | 248.7 °C |
PSA: | 78.43000 |
LogP: | 3.81510 |
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The 4-Thiazolecarboxylicacid, 2-(2,3-dichlorophenyl)- is the organic compound with the formula C10H5Cl2NO2S. With the CAS registry number 257876-07-6, its IUPAC name is 2-(2,3-dichlorophenyl)-1,3-thiazole-4-carboxylic acid.
Physical properties of 4-Thiazolecarboxylicacid, 2-(2,3-dichlorophenyl)-: (1)ACD/LogP: 3.76; (2)ACD/LogD (pH 5.5): 1.58; (3)ACD/LogD (pH 7.4): 0.65; (4)ACD/BCF (pH 5.5): 2.77; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 17.3; (7)ACD/KOC (pH 7.4): 2.07; (8)#H bond acceptors: 3; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 2; (11)Index of Refraction: 1.658; (12)Molar Refractivity: 64.04 cm3; (13)Molar Volume: 173.8 cm3; (14)Surface Tension: 64 dyne/cm; (15)Density: 1.576 g/cm3; (16)Flash Point: 248.7 °C; (17)Enthalpy of Vaporization: 79.36 kJ/mol; (18)Boiling Point: 487.5 °C at 760 mmHg; (19)Vapour Pressure: 2.56E-10 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C1=CC(=C(C(=C1)Cl)Cl)C2=NC(=CS2)C(=O)O
(2)InChI: InChI=1S/C10H5Cl2NO2S/c11-6-3-1-2-5(8(6)12)9-13-7(4-16-9)10(14)15/h1-4H,(H,14,15)
(3)InChIKey: ANTJCNIMRNBFMJ-UHFFFAOYSA-N