| CAS Number | 1070979-39-3 |
| Catalog Number | AG01B9P0 |
| Chemical Name | Methyl 2-((tert-butoxycarbonyl)amino)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoate |
| IUPAC Name | methyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoate |
| InChI | InChI=1S/C19H28BNO6/c1-17(2,3)25-16(23)21-14-10-9-12(11-13(14)15(22)24-8)20-26-18(4,5)19(6,7)27-20/h9-11H,1-8H3,(H,21,23) |
| InChI Key | PNRADUSPUQGVEG-UHFFFAOYSA-N |
| MDL Number | MFCD23379520 |
| Molecular Formula | C19H28BNO6 |
| Molecular Weight | 377.2397 |
| SMILES | O=C(OC)C1=CC(B2OC(C)(C)C(C)(C)O2)=CC=C1NC(OC(C)(C)C)=O |
| Synonyms | methyl 2-{[(tert-butoxy)carbonyl]amino}-5-(tetramethyl-1,3,2-dioxaborolan-2-yl)benzoate,
1070979-39-3,
SCHEMBL3562076,
PNRADUSPUQGVEG-UHFFFAOYSA-N,
ZINC205097669,
2-tert-butoxycarbonylamino-5-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)-benzoic acid methyl ester,
|
| Complexity | 555 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 377.201g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 27 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 377.244g/mol |
| Monoisotopic Mass | 377.201g/mol |
| Rotatable Bond Count | 6 |
| Topological Polar Surface Area | 83.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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Certificate of Analysis
Lot Number