| CAS Number | 1490401-48-3 |
| Catalog Number | AG01B83F(AGN-PC-0WOEHY) |
| Chemical Name | 3-carbamoyl-5-chlorobenzene-1-sulfonyl chloride |
| IUPAC Name | 3-carbamoyl-5-chlorobenzenesulfonyl chloride |
| InChI | InChI=1S/C7H5Cl2NO3S/c8-5-1-4(7(10)11)2-6(3-5)14(9,12)13/h1-3H,(H2,10,11) |
| InChI Key | LQDDPADWQVQFBB-UHFFFAOYSA-N |
| MDL Number | MFCD21196017 |
| Molecular Formula | C7H5Cl2NO3S |
| Molecular Weight | 254.0905 |
| SMILES | NC(C1=CC(S(Cl)(=O)=O)=CC(Cl)=C1)=O |
| Synonyms | 3-carbamoyl-5-chlorobenzene-1-sulfonyl chloride,
1490401-48-3,
AKOS014703607,
ZINC108311334,
FCH5055725,
BBV-39893052,
EN300-199316,
|
| Complexity | 324 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 252.937g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 254.081g/mol |
| Monoisotopic Mass | 252.937g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 85.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number