| CAS Number | 2096329-87-0 |
| Catalog Number | AG01EJTM |
| Chemical Name | 3-(t-Butoxycarbonylamino)-2-chloropyridine-5-boronic acid |
| IUPAC Name | [6-chloro-5-[(2-methylpropan-2-yl)oxycarbonylamino]pyridin-3-yl]boronic acid |
| InChI | InChI=1S/C10H14BClN2O4/c1-10(2,3)18-9(15)14-7-4-6(11(16)17)5-13-8(7)12/h4-5,16-17H,1-3H3,(H,14,15) |
| InChI Key | MTWLURBIZBEDKC-UHFFFAOYSA-N |
| MDL Number | MFCD20441845 |
| Molecular Formula | C10H14BClN2O4 |
| Molecular Weight | 272.4932 |
| SMILES | CC(OC(NC1=C(Cl)N=CC(B(O)O)=C1)=O)(C)C |
| Synonyms | 3-(t-Butoxycarbonylamino)-2-chloropyridine-5-boronic acid,
2096329-87-0,
(5-((tert-Butoxycarbonyl)amino)-6-chloropyridin-3-yl)boronic acid,
MFCD20441845,
ZINC169955611,
Y2423,
B-9496,
C10H14BClN2O4,
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| Complexity | 298 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 272.074g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 272.492g/mol |
| Monoisotopic Mass | 272.074g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 91.7A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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Certificate of Analysis
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