| CAS Number | 1778667-07-4 |
| Catalog Number | AG00HZQP(AGN-PC-0WOBT8) |
| Chemical Name | N-(4-Boronophenyl)-1,3-propanesultam |
| IUPAC Name | [4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]boronic acid |
| InChI | InChI=1S/C9H12BNO4S/c12-10(13)8-2-4-9(5-3-8)11-6-1-7-16(11,14)15/h2-5,12-13H,1,6-7H2 |
| InChI Key | DJRFEMBBOLGQFX-UHFFFAOYSA-N |
| MDL Number | MFCD27935719 |
| Molecular Formula | C9H12BNO4S |
| Molecular Weight | 241.0719 |
| SMILES | O=S1(N(C2=CC=C(B(O)O)C=C2)CCC1)=O |
| Synonyms | 1778667-07-4,
N-(4-Boronophenyl)-1,3-propanesultam,
(4-(1,1-Dioxidoisothiazolidin-2-yl)phenyl)boronic acid,
ZINC170001734,
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| Complexity | 332 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 241.058g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 241.068g/mol |
| Monoisotopic Mass | 241.058g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 86.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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Certificate of Analysis
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