| CAS Number | 2177259-01-5 |
| Catalog Number | AG01FU0M(AGN-PC-3H60EB) |
| Chemical Name | methyl 4-bromo-2-(tetrahydro-2H-pyran-4-yl)-1H-imidazole-5-carboxylate |
| IUPAC Name | methyl 5-bromo-2-(oxan-4-yl)-1H-imidazole-4-carboxylate |
| InChI | InChI=1S/C10H13BrN2O3/c1-15-10(14)7-8(11)13-9(12-7)6-2-4-16-5-3-6/h6H,2-5H2,1H3,(H,12,13) |
| InChI Key | WLRYBEKZPIDMDF-UHFFFAOYSA-N |
| MDL Number | MFCD31652436 |
| Molecular Formula | C10H13BrN2O3 |
| Molecular Weight | 289.1258 |
| SMILES | COC(=O)c1[nH]c(nc1Br)C1CCOCC1 |
| Synonyms | METHYL 4-BROMO-2-(TETRAHYDRO-2H-PYRAN-4-YL)-1H-IMIDAZOLE-5-CARBOXYLATE,
2177259-01-5,
CS-0080107,
Methyl 5-bromo-2-(tetrahydro-2H-pyran-4-yl)-1H-imidazole-4-carboxylate,
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| Complexity | 258 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 288.01095g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 289.13g/mol |
| Monoisotopic Mass | 288.01095g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 64.2Ų |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.7 |
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Certificate of Analysis
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