| CAS Number | 2071707-87-2 |
| Catalog Number | AG01FFY2(AGN-PC-3H4AI0) |
| Chemical Name | 1-Propanesulfonamide, N-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]- |
| IUPAC Name | N-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]propane-1-sulfonamide |
| InChI | InChI=1S/C15H24BNO4S/c1-6-11-22(18,19)17-13-9-7-12(8-10-13)16-20-14(2,3)15(4,5)21-16/h7-10,17H,6,11H2,1-5H3 |
| InChI Key | VRLLYXAEDXHSBK-UHFFFAOYSA-N |
| MDL Number | MFCD31916461 |
| Molecular Formula | C15H24BNO4S |
| Molecular Weight | 325.2314 |
| SMILES | CC1(OB(OC1(C)C)C1=CC=C(C=C1)NS(=O)(=O)CCC)C |
| Synonyms | 2071707-87-2,
SCHEMBL12707453,
AS-55496,
1-Propanesulfonamide, N-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-,
N-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]propane-1-sulfonamide,
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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 | 325.152g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 22 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 325.23g/mol |
| Monoisotopic Mass | 325.152g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 73A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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Certificate of Analysis
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