| CAS Number | 2126088-15-9 |
| Catalog Number | AG01FSF4(AGN-PC-3H6042) |
| Chemical Name | (R)-tert-Butyl (1-(5-bromopyridin-2-yl)-2-hydroxyethyl)carbamate |
| IUPAC Name | tert-butyl N-[(1R)-1-(5-bromopyridin-2-yl)-2-hydroxyethyl]carbamate |
| InChI | InChI=1S/C12H17BrN2O3/c1-12(2,3)18-11(17)15-10(7-16)9-5-4-8(13)6-14-9/h4-6,10,16H,7H2,1-3H3,(H,15,17)/t10-/m0/s1 |
| InChI Key | HMFGXAHOXMEWQU-JTQLQIEISA-N |
| MDL Number | MFCD31539627 |
| Molecular Formula | C12H17BrN2O3 |
| Molecular Weight | 317.1790 |
| SMILES | BrC=1C=CC(=NC1)[C@H](CO)NC(OC(C)(C)C)=O |
| Synonyms | (R)-tert-Butyl (1-(5-bromopyridin-2-yl)-2-hydroxyethyl)carbamate,
2126088-15-9,
DS-20219,
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| Complexity | 281 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 316.04226g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 317.18g/mol |
| Monoisotopic Mass | 316.04226g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 71.4Ų |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.4 |
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Certificate of Analysis
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