| CAS Number | 1171919-33-7 |
| Catalog Number | AG00IXGV(AGN-PC-0WB2CK) |
| Chemical Name | 2,4,6-Trichlorophenyl phenylmethanesulfonate |
| IUPAC Name | (2,4,6-trichlorophenyl) phenylmethanesulfonate |
| InChI | InChI=1S/C13H9Cl3O3S/c14-10-6-11(15)13(12(16)7-10)19-20(17,18)8-9-4-2-1-3-5-9/h1-7H,8H2 |
| InChI Key | BLOMCQQCBMOQLR-UHFFFAOYSA-N |
| MDL Number | MFCD01231356 |
| Molecular Formula | C13H9Cl3O3S |
| Molecular Weight | 351.6328 |
| SMILES | ClC2(=C(OS(=O)(=O)CC1(=CC=CC=C1))C(Cl)=CC(=C2)Cl) |
| Synonyms | 2,4,6-trichlorophenyl phenylmethanesulfonate,
1171919-33-7,
CTK6G6709,
trichlorophenylphenylmethanesulfonate,
KS-000029NR,
MFCD01231356,
ZINC15323619,
AKOS005073741,
NA-0229,
RP16893,
AJ-67270,
TR-065295,
|
| Complexity | 392 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 349.934g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 20 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 351.622g/mol |
| Monoisotopic Mass | 349.934g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 51.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4.8 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number