4-Bromo-1,5-Dimethyl-2-Phenyl-1,2-Dihydro-3H-Pyrazol-3-One
Properties
Property | Value |
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Formula | C11H11BrN2O |
IUPAC Name | 4-bromo-1,5-dimethyl-2-phenyl-pyrazole-1,2-diium-3-one |
Molecular Mass | 267.122 g·mol−1 |
Heat of Formation | 119.2 ± 16.7 kJ·mol−1 |
Dipole Moment | 5.87 ± 1.08 D |
Volume | 257.87 Å 3 |
Surface Area | 240.71 Å 2 |
HOMO Energy | -8.74 ± 0.55 eV |
LUMO Energy | -0.60 ± eV |
Point Group Symmetry | C1 |
Synonyms |
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CAS Number(s) |
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InChIKey | QYWWSDVPNCBSIA-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 |