| CAS Number | 1179912-90-3 |
| Catalog Number | AG019SYV |
| Chemical Name | 5-Chloro-2-(2-methanesulfonylethoxy)aniline |
| IUPAC Name | 5-chloro-2-(2-methylsulfonylethoxy)aniline |
| InChI | InChI=1S/C9H12ClNO3S/c1-15(12,13)5-4-14-9-3-2-7(10)6-8(9)11/h2-3,6H,4-5,11H2,1H3 |
| InChI Key | QBTGBLYBYCOTGN-UHFFFAOYSA-N |
| MDL Number | MFCD12806084 |
| Molecular Formula | C9H12ClNO3S |
| Molecular Weight | 249.7145 |
| SMILES | CS(CCOC1=C(N)C=C(Cl)C=C1)(=O)=O |
| Synonyms | 5-chloro-2-(2-methanesulfonylethoxy)aniline,
1179912-90-3,
ZINC37743656,
AKOS008143547,
MCULE-2982667678,
NE18269,
Z1270482306,
|
| Complexity | 288 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 249.023g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 249.709g/mol |
| Monoisotopic Mass | 249.023g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 77.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number