Basic Information | Post buying leads | Suppliers | Cas Database |
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 | Hazard Symbols | N/A | |
Synonyms |
6-Fluoro-benzo[d]isothiazol-3-one; |
Article Data | 3 |
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