| CAS Number | 1154999-52-6 |
| Catalog Number | AG019TAB |
| Chemical Name | 2-(ethanesulfonyl)-N-methylaniline |
| IUPAC Name | 2-ethylsulfonyl-N-methylaniline |
| InChI | InChI=1S/C9H13NO2S/c1-3-13(11,12)9-7-5-4-6-8(9)10-2/h4-7,10H,3H2,1-2H3 |
| InChI Key | FZDBUNNNHVNXHM-UHFFFAOYSA-N |
| MDL Number | MFCD12173990 |
| Molecular Formula | C9H13NO2S |
| Molecular Weight | 199.2700 |
| SMILES | CCS(C1=C(NC)C=CC=C1)(=O)=O |
| Synonyms | 2-(ethanesulfonyl)-N-methylaniline,
1154999-52-6,
ZINC35348477,
AKOS009498010,
MCULE-8040030856,
NE59394,
|
| Complexity | 243 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 199.067g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 199.268g/mol |
| Monoisotopic Mass | 199.067g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 54.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.1 |
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Certificate of Analysis
Lot Number