| CAS Number | 39614-62-5 |
| Catalog Number | AG01FSKS(AGN-PC-004596) |
| Chemical Name | 3,4,5-Trimethoxybenzene-1-sulfonyl chloride |
| IUPAC Name | 3,4,5-trimethoxybenzenesulfonyl chloride |
| InChI | InChI=1S/C9H11ClO5S/c1-13-7-4-6(16(10,11)12)5-8(14-2)9(7)15-3/h4-5H,1-3H3 |
| InChI Key | MQSMMBMVEDEDQR-UHFFFAOYSA-N |
| MDL Number | MFCD05664176 |
| Molecular Formula | C9H11ClO5S |
| Molecular Weight | 266.6986 |
| SMILES | O=S(C1=CC(OC)=C(OC)C(OC)=C1)(Cl)=O |
| Synonyms | 39614-62-5,
3,4,5-Trimethoxybenzene-1-sulfonyl chloride,
3,4,5-Trimethoxybenzenesulfonyl chloride,
Benzenesulfonylchloride,3,4,5-trimethoxy-,
SCHEMBL2368094,
MQSMMBMVEDEDQR-UHFFFAOYSA-N,
3,4,5-trimethoxybenzenesulfonylchloride,
AK319330,
CS-0089124,
|
| Complexity | 298 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 266.001572g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 266.7g/mol |
| Monoisotopic Mass | 266.001572g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 70.2Ų |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.5 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number