N~4~-(5-Chloro-1,3-Benzodioxol-4-Yl)-N~2~-[3-(Methylsulfonyl)Phenyl]-2,4-Pyrimidinediamine
Properties
| Property | Value |
|---|---|
| Formula | C18H15ClN4O4S |
| IUPAC Name | n4-(5-chloro-1,3-benzodioxol-4-yl)-n2-(3-methylsulfonylphenyl)pyrimidine-2,4-diamine |
| Molecular Mass | 418.854 g·mol−1 |
| Heat of Formation | -261.6 ± 16.7 kJ·mol−1 |
| Dipole Moment | 2.88 ± 1.08 D |
| Volume | 442.71 Å 3 |
| Surface Area | 368.78 Å 2 |
| HOMO Energy | -8.69 ± 0.55 eV |
| LUMO Energy | -0.91 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | QTFCKBFCXDAZIU-UHFFFAOYSA-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 |