| CAS Number | 924867-89-0 |
| Catalog Number | AG019KVP |
| Chemical Name | Methyl 2,4-dichloro-5-(chlorosulfonyl)benzoate |
| IUPAC Name | methyl 2,4-dichloro-5-chlorosulfonylbenzoate |
| InChI | InChI=1S/C8H5Cl3O4S/c1-15-8(12)4-2-7(16(11,13)14)6(10)3-5(4)9/h2-3H,1H3 |
| InChI Key | JOHUFQIGUCYKAH-UHFFFAOYSA-N |
| MDL Number | MFCD11099042 |
| Molecular Formula | C8H5Cl3O4S |
| Molecular Weight | 303.5469 |
| SMILES | O=C(OC)C1=CC(S(=O)(Cl)=O)=C(Cl)C=C1Cl |
| Synonyms | methyl 2,4-dichloro-5-(chlorosulfonyl)benzoate,
924867-89-0,
AC1Q42FD,
CTK6I9062,
ZINC59250405,
AKOS002670992,
NE14858,
EN300-28659,
|
| Complexity | 364 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 301.897g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 303.534g/mol |
| Monoisotopic Mass | 301.897g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 68.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number