| CAS Number | 1421754-24-6 |
| Catalog Number | AG009WVB(AGN-PC-0WA25U) |
| Chemical Name | (4-{[(tert-Butoxy)carbonyl]amino}-2-chlorophenyl)boronic acid |
| IUPAC Name | [2-chloro-4-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]boronic acid |
| InChI | InChI=1S/C11H15BClNO4/c1-11(2,3)18-10(15)14-7-4-5-8(12(16)17)9(13)6-7/h4-6,16-17H,1-3H3,(H,14,15) |
| InChI Key | TXTRMICCPSQYOU-UHFFFAOYSA-N |
| MDL Number | MFCD24448766 |
| Molecular Formula | C11H15BClNO4 |
| Molecular Weight | 271.5051 |
| SMILES | O=C(OC(C)(C)C)Nc1ccc(c(c1)Cl)B(O)O |
| Synonyms | 1421754-24-6,
(4-{[(tert-Butoxy)carbonyl]amino}-2-chlorophenyl)boronic acid,
(4-((tert-Butoxycarbonyl)amino)-2-chlorophenyl)boronic acid,
AKOS025293616,
ZINC170002503,
FCH3060112,
OR361600,
V3175,
C11H15BClNO4,
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| Complexity | 295 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 271.078g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 271.504g/mol |
| Monoisotopic Mass | 271.078g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 78.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number