| CAS Number | 71703-11-2 |
| Catalog Number | AG00FGYN(AGN-PC-0NJCOP) |
| Chemical Name | N-(2-Chlorophenyl)-1,3-propanesultam |
| IUPAC Name | 2-(2-chlorophenyl)-1,2-thiazolidine 1,1-dioxide |
| InChI | InChI=1S/C9H10ClNO2S/c10-8-4-1-2-5-9(8)11-6-3-7-14(11,12)13/h1-2,4-5H,3,6-7H2 |
| InChI Key | WQYJDNBRTFGPHS-UHFFFAOYSA-N |
| MDL Number | MFCD16316245 |
| Molecular Formula | C9H10ClNO2S |
| Molecular Weight | 231.6992 |
| SMILES | Clc1ccccc1N1CCCS1(=O)=O |
| Synonyms | N-(2-Chlorophenyl)-1,3-propanesultam,
71703-11-2,
ZINC41258349,
V7454,
2-(2-CHLOROPHENYL)-1??,2-THIAZOLIDINE-1,1-DIONE,
C9H10ClNO2S,
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| Complexity | 298 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 231.012g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 231.694g/mol |
| Monoisotopic Mass | 231.012g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 45.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.8 |
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Certificate of Analysis
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