| CAS Number | 876482-47-2 |
| Catalog Number | AG00H37J(AGN-PC-09RW58) |
| Chemical Name | 3-(Dimethylamino)benzenesulfonyl chloride |
| IUPAC Name | 3-(dimethylamino)benzenesulfonyl chloride |
| InChI | InChI=1S/C8H10ClNO2S/c1-10(2)7-4-3-5-8(6-7)13(9,11)12/h3-6H,1-2H3 |
| InChI Key | KZNBMKMFIGSQNV-UHFFFAOYSA-N |
| MDL Number | MFCD19200075 |
| Molecular Formula | C8H10ClNO2S |
| Molecular Weight | 219.6885 |
| SMILES | O=S(C1=CC=CC(N(C)C)=C1)(Cl)=O |
| Synonyms | 876482-47-2,
3-(DIMETHYLAMINO)BENZENE-1-SULFONYL CHLORIDE,
3-(dimethylamino)benzenesulfonyl chloride,
3-Dimethylaminophenylsulfonyl chloride,
SCHEMBL3112756,
DTXSID90696870,
KZNBMKMFIGSQNV-UHFFFAOYSA-N,
AKOS006335393,
ZINC100458948,
NE31281,
3-(dimethylamino) benzene-1-sulfonyl chloride,
A842322,
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| Complexity | 258 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 219.012g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 219.683g/mol |
| Monoisotopic Mass | 219.012g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 45.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.1 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number