| CAS Number | 71703-13-4 |
| Catalog Number | AG00FGYE(AGN-PC-0NARKY) |
| Chemical Name | N-(4-Chlorophenyl)-1,3-propanesultam |
| IUPAC Name | 2-(4-chlorophenyl)-1,2-thiazolidine 1,1-dioxide |
| InChI | InChI=1S/C9H10ClNO2S/c10-8-2-4-9(5-3-8)11-6-1-7-14(11,12)13/h2-5H,1,6-7H2 |
| InChI Key | ZCMOUUAHRSJJOR-UHFFFAOYSA-N |
| MDL Number | MFCD16316247 |
| Molecular Formula | C9H10ClNO2S |
| Molecular Weight | 231.6992 |
| SMILES | Clc1ccc(cc1)N1CCCS1(=O)=O |
| Synonyms | N-(4-CHLOROPHENYL)-1,3-PROPANESULTAM,
71703-13-4,
KM1424,
ZINC34483078,
V7456,
2-(4-CHLOROPHENYL)-1??,2-THIAZOLIDINE-1,1-DIONE,
C9H10ClNO2S,
CID10799551,
2-(4-chlorophenyl)-1,2-thiazolidine 1,1-dioxide,
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| Complexity | 290 |
| 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 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number