| CAS Number | 743441-85-2 |
| Catalog Number | AG00ICID(AGN-PC-0KC7MR) |
| Chemical Name | 3-(chloromethyl)-N,N-dimethylbenzene-1-sulfonamide |
| IUPAC Name | 3-(chloromethyl)-N,N-dimethylbenzenesulfonamide |
| InChI | InChI=1S/C9H12ClNO2S/c1-11(2)14(12,13)9-5-3-4-8(6-9)7-10/h3-6H,7H2,1-2H3 |
| InChI Key | VAFVNWAVJPFHBF-UHFFFAOYSA-N |
| MDL Number | MFCD05262927 |
| Molecular Formula | C9H12ClNO2S |
| Molecular Weight | 233.7151 |
| SMILES | CN(S(C1=CC(CCl)=CC=C1)(=O)=O)C |
| Synonyms | 3-(chloromethyl)-N,N-dimethylbenzenesulfonamide,
743441-85-2,
3-(chloromethyl)-N,N-dimethylbenzene-1-sulfonamide,
3-Chloromethyl-N,N-dimethylbenzenesulfonamide,
SCHEMBL2309823,
CTK6H6624,
VAFVNWAVJPFHBF-UHFFFAOYSA-N,
ZINC2643976,
AKOS000116934,
MCULE-1128465386,
NE20665,
EN300-08581,
AC1M1XAR,
AC1Q3WZ0,
ZINC02643976,
CID2106886,
|
| Complexity | 271 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 233.027727g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 233.72g/mol |
| Monoisotopic Mass | 233.027727g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 45.8Ų |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.9 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number