| CAS Number | 1182946-12-8 |
| Catalog Number | AG019T7T |
| Chemical Name | 4-[2-(ethanesulfonyl)phenoxy]aniline |
| IUPAC Name | 4-(2-ethylsulfonylphenoxy)aniline |
| InChI | InChI=1S/C14H15NO3S/c1-2-19(16,17)14-6-4-3-5-13(14)18-12-9-7-11(15)8-10-12/h3-10H,2,15H2,1H3 |
| InChI Key | RNLGIFBQBIGGTA-UHFFFAOYSA-N |
| MDL Number | MFCD12856993 |
| Molecular Formula | C14H15NO3S |
| Molecular Weight | 277.3388 |
| SMILES | CCS(C1=C(OC2=CC=C(N)C=C2)C=CC=C1)(=O)=O |
| Synonyms | 4-[2-(ethanesulfonyl)phenoxy]aniline,
1182946-12-8,
ZINC38056423,
AKOS005817213,
MCULE-7697518342,
NE15591,
Z1285151837,
|
| Complexity | 369 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 277.077g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 19 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 277.338g/mol |
| Monoisotopic Mass | 277.077g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 77.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number