Formula |
C9H5ClFNOS |
IUPAC Name |
2-(3-chloro-4-fluoro-phenyl)isothiazol-3-one |
Molecular Mass |
229.659 g·mol−1 |
Heat of Formation |
-153.1 ± 16.7 kJ·mol−1 |
Dipole Moment |
4.78 ± 1.08 D |
Volume |
230.17 Å 3 |
Surface Area |
219.47 Å 2 |
HOMO Energy |
-8.94 ± 0.55 eV |
LUMO Energy |
-1.48 ± eV |
Point Group Symmetry |
C1
|
Synonyms
|
- 2-(3-chloro-4-fluoro-phenyl)-1,2-thiazol-3-one
- 2-(3-chloro-4-fluorophenyl)-1,2-thiazol-3-one
- 2-(3-chloro-4-fluorophenyl)-3-isothiazolone
|
InChIKey |
OOOJWRSQJXGEDS-UHFFFAOYSA-N |
QR Code |
Generate QR Code |
Links |
PubChem
ChemSpider
|
DOI |
|
Downloads |
Get JSON data
Get MOL2 data
Get SVG Image
|
Elements |
C
F
H
Cl
O
N
S
|
|
|