| CAS Number | 873980-17-7 |
| Catalog Number | AG00H3TR |
| Chemical Name | 5-Chloro-2-(ethanesulfonyl)aniline |
| IUPAC Name | 5-chloro-2-ethylsulfonylaniline |
| InChI | InChI=1S/C8H10ClNO2S/c1-2-13(11,12)8-4-3-6(9)5-7(8)10/h3-5H,2,10H2,1H3 |
| InChI Key | LSXGJBQAKLPYKD-UHFFFAOYSA-N |
| MDL Number | MFCD09935380 |
| Molecular Formula | C8H10ClNO2S |
| Molecular Weight | 219.6885 |
| SMILES | CCS(C1=C(N)C=C(Cl)C=C1)(=O)=O |
| Synonyms | 5-chloro-2-(ethanesulfonyl)aniline,
873980-17-7,
5-chloro-2-ethylsulfonylaniline,
SCHEMBL15358107,
LSXGJBQAKLPYKD-UHFFFAOYSA-N,
ZINC19470558,
5-chloro-2-ethanesulfonyl-phenylamine,
AKOS000177460,
NE44025,
FT-0721887,
A1-09050,
5-chloro-2-(ethylsulfonyl)Benzenamine,
|
| Complexity | 260 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 219.012g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 219.683g/mol |
| Monoisotopic Mass | 219.012g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 68.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.5 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number