| CAS Number | 21792-87-0 |
| Catalog Number | AG00C41E(AGN-PC-00DV6F) |
| Chemical Name | 5-Chloro-2-Nitrobenzenesulfonyl Chloride |
| IUPAC Name | 5-chloro-2-nitrobenzenesulfonyl chloride |
| InChI | InChI=1S/C6H3Cl2NO4S/c7-4-1-2-5(9(10)11)6(3-4)14(8,12)13/h1-3H |
| InChI Key | LNNFIOQFBJVJMZ-UHFFFAOYSA-N |
| MDL Number | MFCD08443046 |
| Molecular Formula | C6H3Cl2NO4S |
| Molecular Weight | 256.0633 |
| SMILES | ClC=1C=CC(=C(C1)S(=O)(=O)Cl)[N+](=O)[O-] |
| Synonyms | 5-Chloro-2-nitrobenzenesulfonyl chloride,
21792-87-0,
5-chloro-2-nitrobenzene-1-sulfonyl chloride,
5-chloro-2-nitro-benzenesulfonyl Chloride,
AC1Q1WU5,
SCHEMBL2062571,
CTK6G8799,
LNNFIOQFBJVJMZ-UHFFFAOYSA-N,
AKOS000126114,
ZINC100119228,
NE13826,
5-chloro-2-nitrophenylsulfonyl chloride,
2-Nitro-5-chlorobenzenesulfonyl chloride,
EN300-29724,
5-Chloro-2-nitrobenzenesulfonyl chloride, AldrichCPR,
CID11673295,
|
| Complexity | 320 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 254.916g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 256.053g/mol |
| Monoisotopic Mass | 254.916g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 88.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.5 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number