| CAS Number | 80998-70-5 |
| Catalog Number | AG00ID5I |
| Chemical Name | 1,4-dimethyl 2-(chlorosulfonyl)benzene-1,4-dicarboxylate |
| IUPAC Name | dimethyl 2-chlorosulfonylbenzene-1,4-dicarboxylate |
| InChI | InChI=1S/C10H9ClO6S/c1-16-9(12)6-3-4-7(10(13)17-2)8(5-6)18(11,14)15/h3-5H,1-2H3 |
| InChI Key | YZQWTLPSBDFBRR-UHFFFAOYSA-N |
| MDL Number | MFCD04614748 |
| Molecular Formula | C10H9ClO6S |
| Molecular Weight | 292.6929 |
| SMILES | COC(C1=CC(S(Cl)(=O)=O)=C(C(OC)=O)C=C1)=O |
| Synonyms | 1,4-dimethyl 2-(chlorosulfonyl)benzene-1,4-dicarboxylate,
80998-70-5,
dimethyl 2-(chlorosulfonyl)terephthalate,
Dimethyl 2-chlorosulfonylbenzene-1,4-dicarboxylate,
AC1MZ903,
AC1Q434U,
SCHEMBL6152074,
CTK6I9788,
YZQWTLPSBDFBRR-UHFFFAOYSA-N,
dimethyl chlorosulfonylterephthalate,
MFCD04614748,
ZINC82036265,
AKOS005217934,
MCULE-6495974150,
NE12906,
EN300-06830,
CID3844300,
|
| Complexity | 426 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 291.981g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 292.686g/mol |
| Monoisotopic Mass | 291.981g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 95.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number