| CAS Number | 1400644-93-0 |
| Catalog Number | AG009WY8(AGN-PC-0WNWTD) |
| Chemical Name | N-(4-Bromo-3-trifluoromethylphenyl)-1,3-propanesultam |
| IUPAC Name | 2-[4-bromo-3-(trifluoromethyl)phenyl]-1,2-thiazolidine 1,1-dioxide |
| InChI | InChI=1S/C10H9BrF3NO2S/c11-9-3-2-7(6-8(9)10(12,13)14)15-4-1-5-18(15,16)17/h2-3,6H,1,4-5H2 |
| InChI Key | HFKGFIDLNNSZDJ-UHFFFAOYSA-N |
| MDL Number | MFCD22421510 |
| Molecular Formula | C10H9BrF3NO2S |
| Molecular Weight | 344.1482 |
| SMILES | Brc1ccc(cc1C(F)(F)F)N1CCCS1(=O)=O |
| Synonyms | N-(4-Bromo-3-trifluoromethylphenyl)-1,3-propanesultam,
1400644-93-0,
KM3822,
ZINC95495571,
V3015,
2-[4-BROMO-3-(TRIFLUOROMETHYL)PHENYL]-1LAMPDA(6),2-THIAZOLIDINE-1,1-DIONE,
C10H9BrF3NO2S,
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| Complexity | 406 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 342.949g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 344.146g/mol |
| Monoisotopic Mass | 342.949g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 45.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.8 |
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Certificate of Analysis
Lot Number