| CAS Number | 858004-24-7 |
| Catalog Number | AG019U69 |
| Chemical Name | 2-chloro-4-methyl-5-nitrobenzene-1-sulfonyl chloride |
| IUPAC Name | 2-chloro-4-methyl-5-nitrobenzenesulfonyl chloride |
| InChI | InChI=1S/C7H5Cl2NO4S/c1-4-2-5(8)7(15(9,13)14)3-6(4)10(11)12/h2-3H,1H3 |
| InChI Key | UFBPQLIMPZYGPU-UHFFFAOYSA-N |
| MDL Number | MFCD22196374 |
| Molecular Formula | C7H5Cl2NO4S |
| Molecular Weight | 270.0899 |
| SMILES | CC1=C([N+]([O-])=O)C=C(S(Cl)(=O)=O)C(Cl)=C1 |
| Synonyms | 2-chloro-4-methyl-5-nitrobenzene-1-sulfonyl chloride,
858004-24-7,
AKOS033755096,
ZINC100439268,
NE27236,
RP29607,
2-Chloro-4-methyl-5-nitrobenzenesulfonyl chloride,
Z2065642799,
|
| Complexity | 347 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 268.932g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 270.08g/mol |
| Monoisotopic Mass | 268.932g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 88.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.8 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number