5-(2,6-Dichlorophenyl)-2-((2,4-Difluorophenyl)Thio)-6H-Pyrimido(1,6-B)Pyridazin-6-One
Properties
Property | Value |
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Formula | C19H9Cl2F2N3OS |
IUPAC Name | 5-(2,6-dichlorophenyl)-2-(2,4-difluorophenyl)sulfanyl-3,4-dihydropyrimido[1,6-b]pyridazin-7-ium-1,2,3,4-tetraid-6-one |
Molecular Mass | 436.262 g·mol−1 |
Heat of Formation | -68.4 ± 16.7 kJ·mol−1 |
Dipole Moment | 6.95 ± 1.08 D |
Volume | 442.64 Å 3 |
Surface Area | 368.87 Å 2 |
HOMO Energy | -8.90 ± 0.55 eV |
LUMO Energy | -1.59 ± eV |
Point Group Symmetry | C1 |
Synonyms |
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CAS Number(s) |
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InChIKey | VEPKQEUBKLEPRA-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 |