| CAS Number | 949-30-4 |
| Catalog Number | AG01BFSK |
| Chemical Name | 2,4-Dichloro-5-nitrobenzene-1-sulfonyl chloride |
| IUPAC Name | 2,4-dichloro-5-nitrobenzenesulfonyl chloride |
| InChI | InChI=1S/C6H2Cl3NO4S/c7-3-1-4(8)6(15(9,13)14)2-5(3)10(11)12/h1-2H |
| InChI Key | ASQPQOPGTPNBCD-UHFFFAOYSA-N |
| MDL Number | MFCD21605289 |
| Molecular Formula | C6H2Cl3NO4S |
| Molecular Weight | 290.5084 |
| SMILES | [O-][N+](C1=C(Cl)C=C(Cl)C(S(Cl)(=O)=O)=C1)=O |
| Synonyms | 2,4-dichloro-5-nitrobenzene-1-sulfonyl chloride,
949-30-4,
2,4-dichloro-5-nitrobenzenesulfonyl chloride,
SCHEMBL1627324,
ASQPQOPGTPNBCD-UHFFFAOYSA-N,
AKOS019064905,
ZINC100558346,
NE28878,
Benzenesulfonyl chloride, 2,4-dichloro-5-nitro-,
|
| Complexity | 348 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 288.877g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 290.495g/mol |
| Monoisotopic Mass | 288.877g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 88.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number