| CAS Number | 1384312-60-0 |
| Catalog Number | AG00HVAM(AGN-PC-0WQZXG) |
| Chemical Name | 3-(N-Boc-Amino)-5-chlorophenylboronic acid pinacol ester |
| IUPAC Name | tert-butyl N-[3-chloro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]carbamate |
| InChI | InChI=1S/C17H25BClNO4/c1-15(2,3)22-14(21)20-13-9-11(8-12(19)10-13)18-23-16(4,5)17(6,7)24-18/h8-10H,1-7H3,(H,20,21) |
| InChI Key | IJXATTIEEWHUBH-UHFFFAOYSA-N |
| MDL Number | MFCD23379584 |
| Molecular Formula | C17H25BClNO4 |
| Molecular Weight | 353.6487 |
| SMILES | O=C(OC(C)(C)C)Nc1cc(cc(c1)Cl)B1OC(C(O1)(C)C)(C)C |
| Synonyms | 3-(N-BOC-Amino)-5-chlorophenylboronic acid pinacol ester,
1384312-60-0,
ZINC242522167,
2-[3-[(tert-Butyloxycarbonyl)amino]-5-chlorophenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane,
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| Complexity | 462 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 353.157g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 24 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 353.65g/mol |
| Monoisotopic Mass | 353.157g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 56.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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Certificate of Analysis
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