3-Bromo-7-Oxo-1,7-Dihydropyrazolo[1,5-A]Pyrimidine-6-Carboxylic Acid
Properties
Property | Value |
---|---|
Formula | C7H4BrN3O3 |
IUPAC Name | 3-bromo-7-oxo-2,5-dihydro-1h-pyrazolo[1,5-a]pyrimidine-2,3,3a,4,5,6-hexaide-6-carboxylic acid |
Molecular Mass | 258.029 g·mol−1 |
Heat of Formation | -175.8 ± 16.7 kJ·mol−1 |
Dipole Moment | 6.36 ± 1.08 D |
Volume | 213.89 Å 3 |
Surface Area | 207.65 Å 2 |
HOMO Energy | -9.37 ± 0.55 eV |
LUMO Energy | -1.79 ± eV |
Point Group Symmetry | Cs |
InChIKey | QMVUPBFLGDVVAW-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 |