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MCULE-6676998670-0
Structure
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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 | 64 USD | 90 | 10 working days | Get Quote |
| 5 mg | 79 USD | 90 | 10 working days | Get Quote |
| 10 mg | 108 USD | 90 | 10 working days | Get Quote |
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| Name | File |
|---|---|
| SDF | MCULE-6676998670-0.sdf |
| SMILES | MCULE-6676998670-0.smiles |
| Standard InChI | MCULE-6676998670-0.inchi |
| InChIKey | MCULE-6676998670-0.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-852133755 | A2B Chem | Predominantly Building Block on demand | 90 | As is | by synthesis |
| P-851556351 | AmBeed | On request | N/A | As is | by synthesis |
| P-9907161 | ChemDiv | Discovery Chemistry Library | 90 | As is | 283 mg |
| P-580430522 | Debye Scientific | General Catalog | 95 | As is | by resynthesis (? - ? days) |
| P-575334547 | EvoBlocks | In-stock Building Blocks | 95 | As is | in stock |
| P-862133719 | FluoroChem | General BB | 95 | As is | in stock |
| P-454409867 | Key Organics | Building Blocks | 90 | As is | 5.454 g |
| P-18801039 | Key Organics | Screening Compounds and Fragments | 90 | As is | 5.454 g |
| P-502401080 | TimTec | Building Block Collection | 90 | As is | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 214.284 |
| logP | 3.6442 |
| H-bond acceptors | 1 |
| H-bond donors | 0 |
| Rotatable bonds | 3 |
| PSA | 45.31 |
| RO5 violations | 0 |
| RO3 violations | 1 |
| Refractivity | 64.1255 |
| Atoms | 25 |
| Rings | 2 |
| Heavy atoms | 15 |
| Hydrogen atoms | 10 |
| Heteroatoms | 2 |
| N/O atoms | 1 |
| Inorganic atoms | 0 |
| Halogen atoms | 0 |
| 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 |
