| CAS Number | 1416367-18-4 |
| Catalog Number | AG00HW4R(AGN-PC-0WNXG9) |
| Chemical Name | 3-(1,1-Dioxido-2-isothiazolidinyl)phenylboronic acid pinacol ester |
| IUPAC Name | 2-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1,2-thiazolidine 1,1-dioxide |
| InChI | InChI=1S/C15H22BNO4S/c1-14(2)15(3,4)21-16(20-14)12-7-5-8-13(11-12)17-9-6-10-22(17,18)19/h5,7-8,11H,6,9-10H2,1-4H3 |
| InChI Key | JZCJAHUPVJCLCO-UHFFFAOYSA-N |
| MDL Number | MFCD28024844 |
| Molecular Formula | C15H22BNO4S |
| Molecular Weight | 323.2155 |
| SMILES | CC1(C)C(C)(C)OB(C2=CC(N(CCC3)S3(=O)=O)=CC=C2)O1 |
| Synonyms | 1416367-18-4,
3-(1,1-Dioxido-2-isothiazolidinyl)phenylboronic acid pinacol ester,
2-(3-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)isothiazolidine 1,1-dioxide,
AKOS027253123,
ZINC170017045,
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| Complexity | 512 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 323.136g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 22 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 323.214g/mol |
| Monoisotopic Mass | 323.136g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 64.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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Certificate of Analysis
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