| CAS Number | 2096338-42-8 |
| Catalog Number | AG01EHM2 |
| Chemical Name | 2,4-Dichloro-5-(2-(methanesulfonylamino)ethoxy)phenylboronic acid, pinacol ester |
| IUPAC Name | N-[2-[2,4-dichloro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenoxy]ethyl]methanesulfonamide |
| InChI | InChI=1S/C15H22BCl2NO5S/c1-14(2)15(3,4)24-16(23-14)10-8-13(12(18)9-11(10)17)22-7-6-19-25(5,20)21/h8-9,19H,6-7H2,1-5H3 |
| InChI Key | RFVFRRRRUNIZKZ-UHFFFAOYSA-N |
| MDL Number | MFCD18311892 |
| Molecular Formula | C15H22BCl2NO5S |
| Molecular Weight | 410.1209 |
| SMILES | Clc1cc(Cl)c(cc1OCCNS(=O)(=O)C)B1OC(C(O1)(C)C)(C)C |
| Synonyms | 2,4-Dichloro-5-(2-(methanesulfonylamino)ethoxy)phenylboronic acid, pinacol ester,
2096338-42-8,
N-(2-(2,4-Dichloro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenoxy)ethyl)methanesulfonamide,
MFCD18311892,
ZINC169936491,
B-9183,
N/A,
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| Complexity | 553 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 409.069g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 25 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 410.113g/mol |
| Monoisotopic Mass | 409.069g/mol |
| Rotatable Bond Count | 6 |
| Topological Polar Surface Area | 82.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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Certificate of Analysis
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