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CAS No.: | 159803-11-9 |
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Name: | 6-Fluoro-1,2-benzoisothiazol-3(2H)-one |
Article Data: | 3 |
Molecular Structure: | |
Formula: | C7H4FNOS |
Molecular Weight: | 169.1762 |
Synonyms: | 6-Fluoro-benzo[d]isothiazol-3-one; |
Density: | 1.474 g/cm3 |
PSA: | 61.10000 |
LogP: | 1.72870 |
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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