Methyl 2-Bromo-5-(7H-Pyrrolo[2,3-D]Pyrimidin-4-Ylamino)Benzoate
Properties
| Property | Value |
|---|---|
| Formula | C14H11BrN4O2 |
| IUPAC Name | methyl 2-bromo-5-(5h-pyrrolo[2,3-d]pyrimidin-7-ium-5-id-4-ylamino)benzoate |
| Molecular Mass | 347.167 g·mol−1 |
| Heat of Formation | 36.1 ± 16.7 kJ·mol−1 |
| Dipole Moment | 6.46 ± 1.08 D |
| Volume | 332.77 Å 3 |
| Surface Area | 308.28 Å 2 |
| HOMO Energy | -8.73 ± 0.55 eV |
| LUMO Energy | 2.04 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | YHDDNFHODNKNQV-UHFFFAOYSA-N |
| QR Code | Generate QR Code |
| Links | PubChem ChemSpider |
| DOI | |
| Downloads | Get JSON data Get MOL2 data Get SVG Image |
| Elements | H C O Br N |