8-(2-Chloro-3,4,5-Trimethoxybenzyl)-2-Fluoro-9-(4-Pentyn-1-Yl)-9H-Purin-6-Amine
Properties
Property | Value |
---|---|
Formula | C20H21ClFN5O3 |
IUPAC Name | 8-[(2-chloro-3,4,5-trimethoxy-phenyl)methyl]-2-fluoro-9-pent-4-ynyl-purin-6-amine |
Molecular Mass | 433.864 g·mol−1 |
Heat of Formation | -157.3 ± 16.7 kJ·mol−1 |
Dipole Moment | 6.15 ± 1.08 D |
Volume | 488.91 Å 3 |
Surface Area | 393.74 Å 2 |
HOMO Energy | -8.90 ± 0.55 eV |
LUMO Energy | 2.46 ± eV |
Point Group Symmetry | C1 |
Synonyms |
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InChIKey | KCIOVTSUEXGUFJ-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 |