| CAS Number | 1400644-34-9 |
| Catalog Number | AG009X4S(AGN-PC-0WAE7R) |
| Chemical Name | N-(2-Chloro-6-methylphenyl)-1,3-propanesultam |
| IUPAC Name | 2-(2-chloro-6-methylphenyl)-1,2-thiazolidine 1,1-dioxide |
| InChI | InChI=1S/C10H12ClNO2S/c1-8-4-2-5-9(11)10(8)12-6-3-7-15(12,13)14/h2,4-5H,3,6-7H2,1H3 |
| InChI Key | AGTCUMJDRHAVRB-UHFFFAOYSA-N |
| MDL Number | MFCD22421511 |
| Molecular Formula | C10H12ClNO2S |
| Molecular Weight | 245.7258 |
| SMILES | Cc1cccc(c1N1CCCS1(=O)=O)Cl |
| Synonyms | N-(2-CHLORO-6-METHYLPHENYL)-1,3-PROPANESULTAM,
1400644-34-9,
C10H12ClNO2S,
KM3823,
ZINC95495572,
V2996,
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| Complexity | 325 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 245.028g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 245.721g/mol |
| Monoisotopic Mass | 245.028g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 45.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.2 |
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Certificate of Analysis
Lot Number