| CAS Number | 1000933-19-6 |
| Catalog Number | AG00H95L(AGN-PC-0WR9ZC) |
| Chemical Name | Methyl 4-chloro-3-(chlorosulfonyl)benzoate |
| IUPAC Name | methyl 4-chloro-3-chlorosulfonylbenzoate |
| InChI | InChI=1S/C8H6Cl2O4S/c1-14-8(11)5-2-3-6(9)7(4-5)15(10,12)13/h2-4H,1H3 |
| InChI Key | SXAYTEZGGGOESJ-UHFFFAOYSA-N |
| MDL Number | MFCD09816501 |
| Molecular Formula | C8H6Cl2O4S |
| Molecular Weight | 269.1018 |
| SMILES | COC(C1=CC(S(Cl)(=O)=O)=C(Cl)C=C1)=O |
| Synonyms | methyl 4-chloro-3-(chlorosulfonyl)benzoate,
1000933-19-6,
AC1Q42W3,
SCHEMBL1495720,
CTK6I9789,
SXAYTEZGGGOESJ-UHFFFAOYSA-N,
AKOS000166359,
ZINC100252031,
MCULE-5506512039,
NE14519,
EN300-31348,
J-000042,
methyl 4-chloro-3-(chlorosulfonyl)benzoate, AldrichCPR,
methyl 4-chloro-3-chlorosulfonyl-benzoate,
|
| 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
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Certificate of Analysis
Lot Number