| Formula |
C10H7ClN4 |
| IUPAC Name |
5-amino-1-(4-chlorophenyl)-3h-pyrazol-1-ium-3-ylium-4-carbonitrile |
| Molecular Mass |
218.642 g·mol−1 |
| Heat of Formation |
412.3 ± 16.7 kJ·mol−1 |
| Dipole Moment |
4.38 ± 1.08 D |
| Volume |
244.58 Å 3 |
| Surface Area |
234.93 Å 2 |
| HOMO Energy |
-9.45 ± 0.55 eV |
| LUMO Energy |
-1.44 ± eV |
| Point Group Symmetry |
C1
|
| Synonyms
|
- 1h-pyrazole-4-carbonitrile, 5-amino-1-(4-chlorophenyl)-
- 5-amino-1-(4-chlorophenyl)-4-pyrazolecarbonitrile
- 5-amino-1-(4-chlorophenyl)pyrazole-4-carbonitrile
- btb 07485
- sdccgmls-0065863.p001
|
| InChIKey |
WIWSALMJHPGFDY-UHFFFAOYSA-N |
| QR Code |
Generate QR Code |
| Links |
PubChem
ChemSpider
|
| DOI |
|
| Downloads |
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|
| Elements |
H
C
Cl
N
|
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