| CAS Number | 1797840-18-6 |
| Catalog Number | AG01B180 |
| Chemical Name | {[3-bromo-2-(2-methanesulfonylethoxy)phenyl]methyl}(methyl)amine hydrochloride |
| IUPAC Name | 1-[3-bromo-2-(2-methylsulfonylethoxy)phenyl]-N-methylmethanamine;hydrochloride |
| InChI | InChI=1S/C11H16BrNO3S.ClH/c1-13-8-9-4-3-5-10(12)11(9)16-6-7-17(2,14)15;/h3-5,13H,6-8H2,1-2H3;1H |
| InChI Key | GRVVLSZXPFXMNJ-UHFFFAOYSA-N |
| MDL Number | MFCD27959495 |
| Molecular Formula | C11H17BrClNO3S |
| Molecular Weight | 358.6796 |
| SMILES | Cl.CNCC1=C(OCCS(C)(=O)=O)C(Br)=CC=C1 |
| Synonyms | {[3-bromo-2-(2-methanesulfonylethoxy)phenyl]methyl}(methyl)amine hydrochloride,
1797840-18-6,
MCULE-8554788536,
NE41957,
Z1795818216,
|
| Complexity | 315 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 356.98g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 358.675g/mol |
| Monoisotopic Mass | 356.98g/mol |
| Rotatable Bond Count | 6 |
| Topological Polar Surface Area | 63.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number