| CAS Number | 70230-88-5 |
| Catalog Number | AG019KEU |
| Chemical Name | Sodium 5-chloro-4-methyl-2-nitrobenzenesulfonate |
| IUPAC Name | sodium;5-chloro-4-methyl-2-nitrobenzenesulfonate |
| InChI | InChI=1S/C7H6ClNO5S.Na/c1-4-2-6(9(10)11)7(3-5(4)8)15(12,13)14;/h2-3H,1H3,(H,12,13,14);/q;+1/p-1 |
| InChI Key | KLRLEMVADKCRFW-UHFFFAOYSA-M |
| MDL Number | MFCD08729242 |
| Molecular Formula | C7H5ClNNaO5S |
| Molecular Weight | 273.6261 |
| SMILES | [Na+].CC1=C(Cl)C=C(S([O-])(=O)=O)C([N+]([O-])=O)=C1 |
| Synonyms | sodium 5-chloro-4-methyl-2-nitrobenzene-1-sulfonate,
sodium 5-chloro-4-methyl-2-nitrobenzenesulfonate,
70230-88-5,
AC1Q1VP0,
CTK6G6342,
NE14036,
EN300-26657,
|
| Complexity | 332 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 272.947g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 273.619g/mol |
| Monoisotopic Mass | 272.947g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 111A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number