[5-(5-Amino-1H-Pyrrolo[3,2-B]Pyridin-2-Yl)-6-Hydroxy-3'-Nitro-3-Biphenylyl]Acetic Acid
Properties
Property | Value |
---|---|
Formula | C21H16N4O5 |
IUPAC Name | 2-[3-(5-amino-1h-pyrrolo[3,2-b]pyridin-2-yl)-4-hydroxy-5-(3-nitrophenyl)phenyl]acetic acid |
Molecular Mass | 404.376 g·mol−1 |
Heat of Formation | -216.1 ± 16.7 kJ·mol−1 |
Dipole Moment | 7.54 ± 1.08 D |
Volume | 442.91 Å 3 |
Surface Area | 398.53 Å 2 |
HOMO Energy | -8.49 ± 0.55 eV |
LUMO Energy | 1.77 ± eV |
Point Group Symmetry | C1 |
InChIKey | BVBGZXXLVHYBKI-UHFFFAOYSA-N |
QR Code | Generate QR Code |
Links | ChemSpider |
DOI | |
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Elements | H C O N |