HuagongsheHuagongshe Chemistry Print Report · For research reference only
methyl 1-phenyl-1H-imidazole-5-carboxylate
methyl 1-phenyl-1H-imidazole-5-carboxylate · 1-Phenyl-1H-imidazole-5-carboxylic acid methyl ester · 1H-Imidazole-5-carboxylicacid, 1-phenyl-, methyl ester
Identifiers & Physical Properties
| CAS No. | 83846-62-2 |
|---|---|
| Molecular formula | C11H10N2O2 |
| Average molar mass | 202.21 g/mol |
| Monoisotopic mass | 202.07422757 g/mol |
| SMILES | COC(=O)c1cncn1-c1ccccc1 |
| InChIKey | CKWUTWFZMPGKGM-UHFFFAOYSA-N |
| PubChem CID | 97021 |
| EC No. | 281-039-2 |
| DTXSID | DTXSID80232741 |
Chemical & Physical Properties
| XLogP | 1.9 |
|---|---|
| Topological polar surface area | 44.1 |
| Hydrogen bond donors | 0 |
| Hydrogen bond acceptors | 3 |
| Rotatable bonds | 3 |
| Heavy atoms | 15 |
| Formal charge | 0 |
| Complexity | 227 |
| InChI | InChI=1S/C11H10N2O2/c1-15-11(14)10-7-12-8-13(10)9-5-3-2-4-6-9/h2-8H,1H3 |
| InChIKey | CKWUTWFZMPGKGM-UHFFFAOYSA-N |
| SMILES | C1N(C2=CC=CC=C2)C(C(OC)=O)=CN=1 |
| FDA UNII | L84ARF3DHA |