[2-(1,2,3-Benzothiadiazol-5-Yl)-7-Chloro-4-Oxo-1,2,3,4-Tetrahydro-1-Phthalazinyl]Acetic Acid
Properties
| Property | Value |
|---|---|
| Formula | C16H11ClN4O3S |
| IUPAC Name | 2-[(1r,2r)-2-(1,2,3-benzothiadiazol-5-yl)-7-chloro-4-oxo-1,3-dihydrophthalazin-1-yl]acetic acid |
| Molecular Mass | 374.802 g·mol−1 |
| Heat of Formation | -74.6 ± 16.7 kJ·mol−1 |
| Dipole Moment | 4.70 ± 1.08 D |
| Volume | 392.63 Å 3 |
| Surface Area | 338.07 Å 2 |
| HOMO Energy | -9.18 ± 0.55 eV |
| LUMO Energy | -1.73 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | YKRGBMIQMLLNND-CYBMUJFWSA-N |
| QR Code | Generate QR Code |
| Links | PubChem ChemSpider |
| DOI | |
| Downloads | Get JSON data Get MOL2 data Get SVG Image |
| Elements | C Cl H O N S |