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6-Fluoro-1,2-benzoisothiazol-3(2H)-one

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Name

6-Fluoro-1,2-benzoisothiazol-3(2H)-one

EINECS N/A
CAS No. 159803-11-9 Density 1.474 g/cm3
PSA 61.10000 LogP 1.72870
Solubility N/A Melting Point N/A
Formula C7H4FNOS Boiling Point N/A
Molecular Weight 169.1762 Flash Point N/A
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 159803-11-9 (6-Fluoro-1,2-benzoisothiazol-3(2H)-one) Hazard Symbols N/A
Synonyms

6-Fluoro-benzo[d]isothiazol-3-one;

Article Data 3

6-Fluoro-1,2-benzoisothiazol-3(2H)-one Specification

The CAS registry number of 6-Fluoro-1,2-benzoisothiazol-3(2H)-one is 159803-11-9. This chemical is also named as 6-Fluoro-benzo[d]isothiazol-3-one. In addition, its molecular formula is C7H4FNOS and molecular weight is 169.1762. Its systematic name is called 6-fluoro-1,2-benzothiazol-3(2H)-one.

Physical properties about 6-Fluoro-1,2-benzoisothiazol-3(2H)-one are: (1)ACD/LogP: 1.83; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 2; (4)#H bond donors: 1; (5)#Freely Rotating Bonds: 0; (6)Index of Refraction: 1.63; (7)Molar Refractivity: 40.83 cm3; (8)Molar Volume: 114.7 cm3; (9)Surface Tension: 50.2 dyne/cm; (10)Density: 1.474 g/cm3.

You can still convert the following datas into molecular structure:
(1)SMILES: Fc2ccc1c(SNC1=O)c2
(2)InChI: InChI=1/C7H4FNOS/c8-4-1-2-5-6(3-4)11-9-7(5)10/h1-3H,(H,9,10)
(3)InChIKey: WLQRIPHXCTXOQC-UHFFFAOYAA

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