| CAS Number | 1310956-29-6 |
| Catalog Number | AG01BVNB |
| Chemical Name | 2-Chloro-4-(tetramethyl-1,3,2-dioxaborolan-2-yl)benzene-1-sulfonamide |
| IUPAC Name | 2-chloro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzenesulfonamide |
| InChI | InChI=1S/C12H17BClNO4S/c1-11(2)12(3,4)19-13(18-11)8-5-6-10(9(14)7-8)20(15,16)17/h5-7H,1-4H3,(H2,15,16,17) |
| InChI Key | SGMYFWONSUHJGF-UHFFFAOYSA-N |
| MDL Number | MFCD18760192 |
| Molecular Formula | C12H17BClNO4S |
| Molecular Weight | 317.5967 |
| SMILES | CC1(C(C)(C)OB(C2=CC(Cl)=C(S(N)(=O)=O)C=C2)O1)C |
| Synonyms | 1310956-29-6,
2-chloro-4-(tetramethyl-1,3,2-dioxaborolan-2-yl)benzene-1-sulfonamide,
SCHEMBL2414637,
ZINC203707801,
A1-06956,
2-Chloro-4-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)-benzenesulfonamide,
|
| Complexity | 460 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 317.066g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 20 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 317.591g/mol |
| Monoisotopic Mass | 317.066g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 87A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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Certificate of Analysis
Lot Number