| CAS Number | 181220-75-7 |
| Catalog Number | AG00I0B7(AGN-PC-09TPYS) |
| Chemical Name | Tert-butyl 2-iodo-1H-imidazole-1-carboxylate |
| IUPAC Name | tert-butyl 2-iodoimidazole-1-carboxylate |
| InChI | InChI=1S/C8H11IN2O2/c1-8(2,3)13-7(12)11-5-4-10-6(11)9/h4-5H,1-3H3 |
| InChI Key | YVAZEIJXEFSHQK-UHFFFAOYSA-N |
| MDL Number | MFCD14585432 |
| Molecular Formula | C8H11IN2O2 |
| Molecular Weight | 294.0896 |
| SMILES | O=C(n1ccnc1I)OC(C)(C)C |
| Synonyms | tert-butyl 2-iodo-1H-imidazole-1-carboxylate,
181220-75-7,
1-tert-butoxycarbonyl-2-iodo-1H-imidazole,
SCHEMBL3168811,
ZINC40450073,
FCH1385209,
BP-11977,
DA-09042,
OR322783,
FT-0763225,
K-5534,
1H-Imidazole-1-carboxylic acid, 2-iodo-, 1,1-dimethylethyl ester,
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| Complexity | 203 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 293.987g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 294.092g/mol |
| Monoisotopic Mass | 293.987g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 44.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2 |
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Certificate of Analysis
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