| CAS Number | 1400644-52-1 |
| Catalog Number | AG009WY6(AGN-PC-0WNWT7) |
| Chemical Name | N-(4-Bromo-2-trifluoromethoxyphenyl)-1,3-propanesultam |
| IUPAC Name | 2-[4-bromo-2-(trifluoromethyl)phenyl]-1,2-thiazolidine 1,1-dioxide |
| InChI | InChI=1S/C10H9BrF3NO2S/c11-7-2-3-9(8(6-7)10(12,13)14)15-4-1-5-18(15,16)17/h2-3,6H,1,4-5H2 |
| InChI Key | FZMGKKXRQDWLGJ-UHFFFAOYSA-N |
| MDL Number | MFCD27939641 |
| Molecular Formula | C10H9BrF3NO2S |
| Molecular Weight | 344.1482 |
| SMILES | Brc1ccc(c(c1)C(F)(F)F)N1CCCS1(=O)=O |
| Synonyms | 1400644-52-1,
N-(4-Bromo-2-trifluoromethoxyphenyl)-1,3-propanesultam,
KM3817,
ZINC95495568,
V3002,
2-[4-BROMO-2-(TRIFLUOROMETHYL)PHENYL]-1AMPLDA(6),2-THIAZOLIDINE-1,1-DIONE,
C10H9BrF3NO2S,
|
| 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 |
GHS Hazard and Precautionary Statements
| Symbol: | |
|
Hazard statements
|
|
|
Precautionary statements
|
|
Certificate of Analysis
Lot Number