| CAS Number | 1155083-83-2 |
| Catalog Number | AG01AJI6 |
| Chemical Name | Methyl 3-chloro-5-(chlorosulfonyl)benzoate |
| IUPAC Name | methyl 3-chloro-5-chlorosulfonylbenzoate |
| InChI | InChI=1S/C8H6Cl2O4S/c1-14-8(11)5-2-6(9)4-7(3-5)15(10,12)13/h2-4H,1H3 |
| InChI Key | SJINDARITXMCOD-UHFFFAOYSA-N |
| MDL Number | MFCD12169479 |
| Molecular Formula | C8H6Cl2O4S |
| Molecular Weight | 269.1018 |
| SMILES | COC(C1=CC(S(Cl)(=O)=O)=CC(Cl)=C1)=O |
| Synonyms | methyl 3-chloro-5-(chlorosulfonyl)benzoate,
1155083-83-2,
3-chloro-5-chlorosulfonyl-benzoic acid methyl ester,
SCHEMBL3593345,
SJINDARITXMCOD-UHFFFAOYSA-N,
ZINC59261963,
AB65376,
NE46384,
DB-060730,
FT-0753387,
EN300-80827,
|
| Complexity | 335 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 267.936g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 269.092g/mol |
| Monoisotopic Mass | 267.936g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 68.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number