| CAS Number | 934986-60-4 |
| Catalog Number | AG00ITML(AGN-PC-0WB2CL) |
| Chemical Name | 2,4,6-Trichlorophenyl ethanesulfonate |
| IUPAC Name | (2,4,6-trichlorophenyl) ethanesulfonate |
| InChI | InChI=1S/C8H7Cl3O3S/c1-2-15(12,13)14-8-6(10)3-5(9)4-7(8)11/h3-4H,2H2,1H3 |
| InChI Key | CNMAELLKDFWHPX-UHFFFAOYSA-N |
| MDL Number | MFCD12498727 |
| Molecular Formula | C8H7Cl3O3S |
| Molecular Weight | 289.5634 |
| SMILES | ClC1(=C(OS(=O)(=O)CC)C(Cl)=CC(=C1)Cl) |
| Synonyms | 2,4,6-trichlorophenyl 1-ethanesulfonate,
934986-60-4,
2,4,6-trichlorophenyl ethanesulfonate,
trichlorophenylethanesulfonate,
CTK6G4771,
KS-000029NS,
MFCD12498727,
ZINC40566650,
AKOS005073742,
NA-0230,
RP15780,
2,4,6-trichlorophenyl ethane-1-sulfonate,
AJ-103628,
TR-065296,
|
| Complexity | 289 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 287.918g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 289.551g/mol |
| Monoisotopic Mass | 287.918g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 51.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.7 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number