| Formula |
C16H13ClN6 |
| IUPAC Name |
6-[(r)-4-aza-1-azonia-2-azanidacyclopenta-3,5-dien-1-yl-(4-chlorophenyl)methyl]-1-methyl-benzotriazol-1-ium-2-ide |
| Molecular Mass |
324.768 g·mol−1 |
| Heat of Formation |
637.7 ± 16.7 kJ·mol−1 |
| Dipole Moment |
1.68 ± 1.08 D |
| Volume |
364.68 Å 3 |
| Surface Area |
325.32 Å 2 |
| HOMO Energy |
-9.58 ± 0.55 eV |
| LUMO Energy |
-0.99 ± eV |
| Point Group Symmetry |
C1
|
| Synonyms
|
- 6-[(r)-(4-chlorophenyl)-(1,2,4-triazol-1-yl)methyl]-1-methyl-benzotriazole
- 6-[(r)-(4-chlorophenyl)-(1,2,4-triazol-1-yl)methyl]-1-methylbenzotriazole
|
| InChIKey |
XLMPPFTZALNBFS-MRXNPFEDSA-N |
| QR Code |
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| Links |
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|
| DOI |
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| Downloads |
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|
| Elements |
H
C
N
Cl
|
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