2-[(2S)-2-Heptanyl]-4,6-Dinitrophenol
Properties
Property | Value |
---|---|
Formula | C13H18N2O5 |
IUPAC Name | 2-[(1s)-1-methylhexyl]-4,6-dinitro-phenol |
Molecular Mass | 282.292 g·mol−1 |
Heat of Formation | -275.7 ± 16.7 kJ·mol−1 |
Dipole Moment | 4.85 ± 1.08 D |
Volume | 338.91 Å 3 |
Surface Area | 309.43 Å 2 |
HOMO Energy | -10.47 ± 0.55 eV |
LUMO Energy | -1.73 ± eV |
Point Group Symmetry | C1 |
InChIKey | RROCMCBQTUYDSD-VIFPVBQESA-N |
QR Code | Generate QR Code |
Links | PubChem ChemSpider |
DOI | |
Downloads | Get JSON data Get MOL2 data Get SVG Image |
Elements | H C O N |