| Formula |
C21H15N3O4 |
| IUPAC Name |
4-[(3z,5e)-3,5-bis(6-oxocyclohexa-2,4-dien-1-ylidene)-1,2,4-triazolidin-1-yl]benzoic acid |
| Molecular Mass |
373.362 g·mol−1 |
| Heat of Formation |
-119.3 ± 16.7 kJ·mol−1 |
| Dipole Moment |
2.78 ± 1.08 D |
| Volume |
414.88 Å 3 |
| Surface Area |
366.51 Å 2 |
| HOMO Energy |
-8.74 ± 0.55 eV |
| LUMO Energy |
-1.77 ± eV |
| Point Group Symmetry |
C1
|
| Synonyms
|
- 4-(3,5-bis-(hydroxy-phenyl)-1,2,4)triazol-1-yl)-benzoic acid
- 4-[(3z,5e)-3,5-bis(6-keto-1-cyclohexa-2,4-dienylidene)-1,2,4-triazolidin-1-yl]benzoic acid
- d03669
- deferasirox (jan/usan)
- exjade
- icl 670
- icl670
- icl670a
|
| CAS Number(s) |
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| InChIKey |
FMSOAWSKCWYLBB-VBGLAJCLSA-N |
| QR Code |
Generate QR Code |
| Links |
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|
| DOI |
|
| Downloads |
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|
| Elements |
H
C
O
N
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