| CAS Number | 1342605-41-7 |
| Catalog Number | AG01A37F |
| Chemical Name | 3-[(2-methoxyethanesulfonyl)methyl]benzene-1-sulfonyl chloride |
| IUPAC Name | 3-(2-methoxyethylsulfonylmethyl)benzenesulfonyl chloride |
| InChI | InChI=1S/C10H13ClO5S2/c1-16-5-6-17(12,13)8-9-3-2-4-10(7-9)18(11,14)15/h2-4,7H,5-6,8H2,1H3 |
| InChI Key | DXIDCEXITMAADO-UHFFFAOYSA-N |
| MDL Number | MFCD19628858 |
| Molecular Formula | C10H13ClO5S2 |
| Molecular Weight | 312.7902 |
| SMILES | COCCS(CC1=CC(S(Cl)(=O)=O)=CC=C1)(=O)=O |
| Synonyms | 3-[(2-methoxyethanesulfonyl)methyl]benzene-1-sulfonyl chloride,
1342605-41-7,
AKOS013311305,
ZINC100466808,
NE53954,
|
| Complexity | 446 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 311.989g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 312.779g/mol |
| Monoisotopic Mass | 311.989g/mol |
| Rotatable Bond Count | 6 |
| Topological Polar Surface Area | 94.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1 |
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Certificate of Analysis
Lot Number