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2-Chloro-4-fluorobenzothiazole

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Name

2-Chloro-4-fluorobenzothiazole

EINECS N/A
CAS No. 182344-56-5 Density 1.532 g/cm3
PSA 41.13000 LogP 3.08880
Solubility N/A Melting Point N/A
Formula C7H3ClFNS Boiling Point 253 °C at 760 mmHg
Molecular Weight 187.62 Flash Point 106.8 °C
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 182344-56-5 (2-Chloro-4-fluorobenzothiazole) Hazard Symbols N/A
Synonyms

2-Chloro-4-fluoro-1,3-benzothiazole;

Article Data 4

2-Chloro-4-fluorobenzothiazole Specification

The 2-Chloro-4-fluorobenzothiazole with the cas number 182344-56-5 is also called Benzothiazole,2-chloro-4-fluoro-. The systematic name is 2-chloro-4-fluoro-1,3-benzothiazole. Its molecular formula is C7H3ClFNS. The product category is Benzothiazole.

The properties of the chemical are: (1)ACD/LogP: 3.47; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.47; (4)ACD/LogD (pH 7.4): 3.47; (5)ACD/BCF (pH 5.5): 253.41; (6)ACD/BCF (pH 7.4): 253.41; (7)ACD/KOC (pH 5.5): 1829.23; (8)ACD/KOC (pH 7.4): 1829.23; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 41.13 Å2; (13)Index of Refraction: 1.665; (14)Molar Refractivity: 45.45 cm3; (15)Molar Volume: 122.4 cm3; (16)Polarizability: 18.02×10-24cm3; (17)Surface Tension: 53.7 dyne/cm; (18)Enthalpy of Vaporization: 47.05 kJ/mol; (19)Vapour Pressure: 0.0299 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: Fc1cccc2sc(Cl)nc12
(2)InChI: InChI=1/C7H3ClFNS/c8-7-10-6-4(9)2-1-3-5(6)11-7/h1-3H
(3)InChIKey: VCSYBEOXGIHVTR-UHFFFAOYAQ

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