| Formula |
C13H13N3O4 |
| IUPAC Name |
2-(2-methyl-5-nitro-imidazol-1-yl)ethyl benzoate |
| Molecular Mass |
275.260 g·mol−1 |
| Heat of Formation |
-149.2 ± 16.7 kJ·mol−1 |
| Dipole Moment |
5.80 ± 1.08 D |
| Volume |
313.08 Å 3 |
| Surface Area |
286.54 Å 2 |
| HOMO Energy |
-10.05 ± 0.55 eV |
| LUMO Energy |
-1.05 ± eV |
| Point Group Symmetry |
C1
|
| Synonyms
|
- 2-(2-methyl-5-nitro-imidazol-1-yl)ethyl benzoate
- 2-(2-methyl-5-nitroimidazol-1-yl)ethyl benzoate
- 2-methyl-5-nitro-1h-imidazole-1-ethyl benzoate
- benzoic acid 2-(2-methyl-5-nitro-1-imidazolyl)ethyl ester
- benzoic acid 2-(2-methyl-5-nitro-imidazol-1-yl)-ethyl ester
- benzoic acid 2-(2-methyl-5-nitro-imidazol-1-yl)ethyl ester
- benzoyl metronidazole
- benzoylmetronidazole
- oprea1_489419
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| CAS Number(s) |
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| InChIKey |
CUUCCLJJOWSASK-UHFFFAOYSA-N |
| QR Code |
Generate QR Code |
| Links |
PubChem
ChemSpider
|
| DOI |
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| Downloads |
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|
| Elements |
H
C
O
N
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