| CAS Number | 1155084-24-4 |
| Catalog Number | AG01AIOR |
| Chemical Name | 2-Fluoro-4-methyl-5-nitrobenzene-1-sulfonyl chloride |
| IUPAC Name | 2-fluoro-4-methyl-5-nitrobenzenesulfonyl chloride |
| InChI | InChI=1S/C7H5ClFNO4S/c1-4-2-5(9)7(15(8,13)14)3-6(4)10(11)12/h2-3H,1H3 |
| InChI Key | GSSIFRYQZIGGIQ-UHFFFAOYSA-N |
| MDL Number | MFCD12174289 |
| Molecular Formula | C7H5ClFNO4S |
| Molecular Weight | 253.6353 |
| SMILES | CC1=C([N+]([O-])=O)C=C(S(Cl)(=O)=O)C(F)=C1 |
| Synonyms | 2-fluoro-4-methyl-5-nitrobenzene-1-sulfonyl chloride,
1155084-24-4,
SCHEMBL11964594,
ZINC59266835,
NE38731,
EN300-78598,
2-fluoro-4-methyl-5-nitrobenzenesulfonyl chloride,
|
| Complexity | 349 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 252.961g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 253.628g/mol |
| Monoisotopic Mass | 252.961g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 88.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number