| CAS Number | 145980-89-8 |
| Catalog Number | AG01AD5B(AGN-PC-00P5VG) |
| Chemical Name | 2,6-Dimethoxybenzene-1-sulfonyl chloride |
| IUPAC Name | 2,6-dimethoxybenzenesulfonyl chloride |
| InChI | InChI=1S/C8H9ClO4S/c1-12-6-4-3-5-7(13-2)8(6)14(9,10)11/h3-5H,1-2H3 |
| InChI Key | KLVZDQNSNTUNGU-UHFFFAOYSA-N |
| MDL Number | MFCD18395734 |
| Molecular Formula | C8H9ClO4S |
| Molecular Weight | 236.6727 |
| SMILES | O=S(C1=C(OC)C=CC=C1OC)(Cl)=O |
| Synonyms | 2,6-dimethoxybenzene-1-sulfonyl chloride,
145980-89-8,
Benzenesulfonyl chloride, 2,6-dimethoxy-,
SCHEMBL1500874,
KLVZDQNSNTUNGU-UHFFFAOYSA-N,
ZINC59145418,
2,6-Dimethoxybenzenesulfonyl chloride,
AKOS006240042,
NE58136,
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| Complexity | 260 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 235.991g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 236.666g/mol |
| Monoisotopic Mass | 235.991g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 61A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.9 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
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