3-(2-Chloroethyl)-4-Oxo-3,4-Dihydroimidazo[5,1-D][1,2,3,5]Tetrazine-8-Carboxylic Acid
Properties
Property | Value |
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Formula | C7H6ClN5O3 |
IUPAC Name | 3-(2-chloroethyl)-4-oxo-imidazo[5,1-d][1,2,3,5]tetrazine-8-carboxylic acid |
Molecular Mass | 243.607 g·mol−1 |
Heat of Formation | -160.6 ± 16.7 kJ·mol−1 |
Dipole Moment | 2.19 ± 1.08 D |
Volume | 246.32 Å 3 |
Surface Area | 236.23 Å 2 |
HOMO Energy | -10.25 ± 0.55 eV |
LUMO Energy | -1.98 ± eV |
Point Group Symmetry | C1 |
Synonyms |
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CAS Number(s) |
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InChIKey | FOGTXLLWVRUBDH-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 O Cl |