| CAS Number | 1014613-40-1 |
| Catalog Number | AG01BAL9 |
| Chemical Name | N-(2-Hydroxyethyl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzenesulfonamide |
| IUPAC Name | N-(2-hydroxyethyl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzenesulfonamide |
| InChI | InChI=1S/C14H22BNO5S/c1-13(2)14(3,4)21-15(20-13)11-5-7-12(8-6-11)22(18,19)16-9-10-17/h5-8,16-17H,9-10H2,1-4H3 |
| InChI Key | ZKZFMLOBRZWBRY-UHFFFAOYSA-N |
| MDL Number | MFCD28397687 |
| Molecular Formula | C14H22BNO5S |
| Molecular Weight | 327.2042 |
| SMILES | CC1(C)OB(OC1(C)C)C1=CC=C(C=C1)S(=O)(=O)NCCO |
| Synonyms | 1014613-40-1,
2-hydroxy-S-[4-(tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]ethane-1-sulfonamido,
SCHEMBL2547389,
ZKZFMLOBRZWBRY-UHFFFAOYSA-N,
ZINC202765204,
A1-10936,
N-(2-hydroxyethyl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzene- sulfonamide,
N-(2-hydroxyethyl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzenesulfonamide,
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| Complexity | 464 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 327.131g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 22 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 327.202g/mol |
| Monoisotopic Mass | 327.131g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 93.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number