2-{3,5-Dichloro-4-[4-(Methylsulfonyl)Phenoxy]Phenyl}-1-Methyl-1,2,4-Triazinane-3,5-Dione
Properties
Property | Value |
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Formula | C17H15Cl2N3O5S |
IUPAC Name | (1s)-2-[3,5-dichloro-4-(4-methylsulfonylphenoxy)phenyl]-1-methyl-1,2,4-triazinane-3,5-dione |
Molecular Mass | 444.289 g·mol−1 |
Heat of Formation | -591.0 ± 16.7 kJ·mol−1 |
Dipole Moment | 5.38 ± 1.08 D |
Volume | 452.13 Å 3 |
Surface Area | 387.96 Å 2 |
HOMO Energy | -9.63 ± 0.55 eV |
LUMO Energy | -1.12 ± eV |
Point Group Symmetry | C1 |
Synonyms |
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CAS Number(s) |
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InChIKey | AQAZEGOUFUGKBP-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 |