1-Phenyl-1H-Pyrazolo[3,4-D]Pyrimidine-4-Carbonitrile
Properties
Property | Value |
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Formula | C12H7N5 |
IUPAC Name | 1-phenylpyrazolo[3,4-d]pyrimidine-4-carbonitrile |
Molecular Mass | 221.217 g·mol−1 |
Heat of Formation | 640.3 ± 16.7 kJ·mol−1 |
Dipole Moment | 4.29 ± 1.08 D |
Volume | 251.62 Å 3 |
Surface Area | 241.35 Å 2 |
HOMO Energy | -9.46 ± 0.55 eV |
LUMO Energy | 0.16 ± eV |
Point Group Symmetry | C1 |
Synonyms |
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CAS Number(s) |
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InChIKey | LGGKAYYYLDMGJD-UHFFFAOYSA-N |
QR Code | Generate QR Code |
Links | PubChem ChemSpider |
DOI | |
Downloads | Get JSON data Get MOL2 data Get SVG Image |
Elements | H C N |