| CAS Number | 98141-54-9 |
| Catalog Number | AG01AJTJ(AGN-PC-024TN5) |
| Chemical Name | 4-amino-3,5-dichlorobenzene-1-sulfonyl chloride |
| IUPAC Name | 4-amino-3,5-dichlorobenzenesulfonyl chloride |
| InChI | InChI=1S/C6H4Cl3NO2S/c7-4-1-3(13(9,11)12)2-5(8)6(4)10/h1-2H,10H2 |
| InChI Key | GMQGRTBKYOJTMW-UHFFFAOYSA-N |
| MDL Number | MFCD19686397 |
| Molecular Formula | C6H4Cl3NO2S |
| Molecular Weight | 260.5255 |
| SMILES | NC1=C(Cl)C=C(S(Cl)(=O)=O)C=C1Cl |
| Synonyms | 4-amino-3,5-dichlorobenzene-1-sulfonyl chloride,
98141-54-9,
4-amino-3,5-dichloro-phenylsulphonic acid chloride,
SCHEMBL1337250,
GMQGRTBKYOJTMW-UHFFFAOYSA-N,
ZINC100637540,
NE43829,
4-amino-3,5-dichlorobenzenesulfonyl chloride,
4-amino-3,5-dichlorobenzene-sulfonyl chloride,
4-amino-3,5dichlorobenzene -sulfonyl chloride,
EN300-81888,
Benzenesulfonyl chloride, 4-amino-3,5-dichloro-,
4-amino-3,5-dichloro-benzenesulphonic acid chloride,
|
| Complexity | 264 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 258.903g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 260.513g/mol |
| Monoisotopic Mass | 258.903g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 68.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number