| CAS Number | 60987-20-4 |
| Catalog Number | AG019LF9(AGN-PC-0166W1) |
| Chemical Name | 4,5-Dimethoxy-2-methylbenzene-1-sulfonyl chloride |
| IUPAC Name | 4,5-dimethoxy-2-methylbenzenesulfonyl chloride |
| InChI | InChI=1S/C9H11ClO4S/c1-6-4-7(13-2)8(14-3)5-9(6)15(10,11)12/h4-5H,1-3H3 |
| InChI Key | IRHPZJPWXHAKBI-UHFFFAOYSA-N |
| MDL Number | MFCD09738190 |
| Molecular Formula | C9H11ClO4S |
| Molecular Weight | 250.6992 |
| SMILES | COC1=C(OC)C=C(S(Cl)(=O)=O)C(C)=C1 |
| Synonyms | 4,5-dimethoxy-2-methylbenzene-1-sulfonyl chloride,
60987-20-4,
4,5-dimethoxy-2-methylbenzenesulfonyl chloride,
AC1Q46IF,
SCHEMBL5835370,
CTK6J5315,
ZINC98047007,
AKOS000145348,
MCULE-6612186343,
NE62470,
EN300-31054,
4,5-dimethoxy-2-methylbenzenesulfonyl chloride, AldrichCPR,
4,5-dimethoxy-2-methyl-benzenesulfonyl chloride,
|
| Complexity | 298 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 250.007g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 250.693g/mol |
| Monoisotopic Mass | 250.007g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 61A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number