Determine the necessary mass, volume, or concentration for preparing a solution.
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| SKU | Size | Availability |
Price | Qty |
|---|---|---|---|---|
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I730407-100mg
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100mg |
Available within 8-12 weeks(?)
Production requires sourcing of materials. We appreciate your patience and understanding.
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$343.90
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| Specifications & Purity | ≥95% |
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Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organoheterocyclic compounds |
| Class | Azoles |
| Subclass | Imidazoles |
| Intermediate Tree Nodes | Substituted imidazoles |
| Direct Parent | Carbonylimidazoles |
| Alternative Parents | Pyridazines and derivatives N-substituted imidazoles Heteroaromatic compounds Carboxylic acids Azacyclic compounds Organooxygen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Imidazole-4-carbonyl group - Pyridazine - N-substituted imidazole - Heteroaromatic compound - Azacycle - Carboxylic acid - Carboxylic acid derivative - Organic nitrogen compound - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Aromatic heteropolycyclic compound |
| Description | This compound belongs to the class of organic compounds known as carbonylimidazoles. These are substituted imidazoles in which the imidazole ring bears a carbonyl group. |
| External Descriptors | Not available |
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| ALogP | 0.2 |
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| INCHI | InChI=1S/C7H5N3O2/c11-7(12)5-4-8-6-2-1-3-9-10(5)6/h1-4H,(H,11,12) |
|---|---|
| InChIKey | SGRMUAZFOWNSGE-UHFFFAOYSA-N |
| Smiles | C1=CC2=NC=C(N2N=C1)C(=O)O |
| Isomeric SMILES | C1=CC2=NC=C(N2N=C1)C(=O)O |
| PubChem CID | 22024514 |
| Molecular Weight | 163.13 |
| Molecular Weight | 163.130 g/mol |
|---|---|
| XLogP3 | 0.200 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 1 |
| Exact Mass | 163.038 Da |
| Monoisotopic Mass | 163.038 Da |
| Topological Polar Surface Area | 67.500 Ų |
| Heavy Atom Count | 12 |
| Formal Charge | 0 |
| Complexity | 197.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 0 |
| Covalently-Bonded Unit Count | 1 |