| Formula |
C16H18ClN3O4 |
| IUPAC Name |
2-[2-butyl-5-chloro-3-[(2-nitrophenyl)methyl]imidazol-3-ium-2-ylium-4-yl]acetic acid |
| Molecular Mass |
351.785 g·mol−1 |
| Heat of Formation |
-299.2 ± 16.7 kJ·mol−1 |
| Dipole Moment |
5.78 ± 1.08 D |
| Volume |
396.39 Å 3 |
| Surface Area |
347.55 Å 2 |
| HOMO Energy |
-9.24 ± 0.55 eV |
| LUMO Energy |
-1.67 ± eV |
| Point Group Symmetry |
C1
|
| Synonyms
|
- 2-[2-butyl-5-chloro-3-(2-nitrobenzyl)imidazol-4-yl]acetic acid
- 2-[2-butyl-5-chloro-3-[(2-nitrophenyl)methyl]-4-imidazolyl]acetic acid
- 2-[2-butyl-5-chloro-3-[(2-nitrophenyl)methyl]imidazol-4-yl]acetic acid
- 2-[2-butyl-5-chloro-3-[(2-nitrophenyl)methyl]imidazol-4-yl]ethanoic acid
|
| InChIKey |
YWCAWHQYKZOIJJ-UHFFFAOYSA-N |
| QR Code |
Generate QR Code |
| Links |
PubChem
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|
| DOI |
|
| Downloads |
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|
| Elements |
H
C
N
O
Cl
|
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