2-(4-Carboxyphenyl)-6-Nitrobenzothiazole
Properties
Property | Value |
---|---|
Formula | C14H8N2O4S |
IUPAC Name | 4-(6-nitro-1,3-benzothiazol-2-yl)benzoic acid |
Molecular Mass | 300.289 g·mol−1 |
Heat of Formation | 2157.5 ± 16.7 kJ·mol−1 |
Dipole Moment | 2.22 ± 1.08 D |
Volume | 315.98 Å 3 |
Surface Area | 303.79 Å 2 |
HOMO Energy | -10.04 ± 0.55 eV |
LUMO Energy | -4.30 ± eV |
Point Group Symmetry | C1 |
InChIKey | XXRDCNZIPQPETI-UHFFFAOYSA-N |
QR Code | Generate QR Code |
Links | PubChem ChemSpider |
DOI |
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Downloads | Get JSON data Get MOL2 data Get SVG Image |
Elements | C S O N |