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MCULE-9796229457
Compound
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- InChIKey:
- SMILES:
- InChI:
- Formula:
| Amount | Price
 Optimized compound price excluding delivery costs. Please note that automatic quote generation will optimize the total price based on your preferences.
|
Guaranteed purity (%) | Delivery time
Estimated door-to-door delivery time for EU and US customers. It will be refined and optimized during quote generation after the shipping country is specified.
|
|
|---|---|---|---|---|
| 1 mg | 66 USD | 95 | 10 working days | Get Quote |
| 5 mg | 66 USD | 95 | 10 working days | Get Quote |
| 10 mg | 66 USD | 95 | 10 working days | Get Quote |
New customers are eligible for a 10% discount if indicated at the time of ordering.
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| Name | File |
|---|---|
| SDF | MCULE-9796229457.sdf |
| SMILES | MCULE-9796229457.smiles |
| Standard InChI | MCULE-9796229457.inchi |
| InChIKey | MCULE-9796229457.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-892866198 | A2B Chem | Predominantly Building Block in stock | 95 | As is | in stock |
| P-615722642 | AK Scientific | Building Blocks | 95 | As is | in stock |
| P-866097474 | Advanced Chemical Intermediates (ACI) | ACI predominantly BB catalog | 95 | As is | 30.4 g |
| P-851711990 | AmBeed | On request | N/A | As is | by synthesis |
| P-579784068 | Apollo Scientific | On request | 95 | As is | by resynthesis (? - ? days) |
| P-454384710 | Key Organics | Building Blocks | 95 | As is | 17.226 g |
| P-18804895 | Key Organics | Screening Compounds and Fragments | 95 | As is | 17.226 g |
| P-502400623 | TimTec | Building Block Collection | 90 | As is | in stock |
| P-611600910 | Toronto Research | In stock | 90 | As is | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 212.171 |
| logP | 3.22888 |
| H-bond acceptors | 2 |
| H-bond donors | 1 |
| Rotatable bonds | 2 |
| PSA | 49.81 |
| RO5 violations | 0 |
| RO3 violations | 1 |
| Refractivity | 48.7984 |
| Atoms | 22 |
| Rings | 1 |
| Heavy atoms | 15 |
| Hydrogen atoms | 7 |
| Heteroatoms | 5 |
| N/O atoms | 2 |
| Inorganic atoms | 0 |
| Halogen atoms | 3 |
| Chiral centers | 0 |
| R/S chiral centers | 0 |
| Unknown chiral centers | 0 |
| Undefined chiral centers | 0 |
| Stereo double bonds | 1 |
| Cis/trans stereo double bonds | 0 |
| Unknown stereo double bonds | 1 |
| Undefined stereo double bonds | 0 |
