| CAS Number | 1804051-34-0 |
| Catalog Number | AG01B77F |
| Chemical Name | 5-fluoro-4-methyl-2-nitrobenzene-1-sulfonyl chloride |
| IUPAC Name | 5-fluoro-4-methyl-2-nitrobenzenesulfonyl chloride |
| InChI | InChI=1S/C7H5ClFNO4S/c1-4-2-6(10(11)12)7(3-5(4)9)15(8,13)14/h2-3H,1H3 |
| InChI Key | XBQSXRWIHJKJRS-UHFFFAOYSA-N |
| MDL Number | MFCD28797563 |
| Molecular Formula | C7H5ClFNO4S |
| Molecular Weight | 253.6353 |
| SMILES | CC1=C(F)C=C(S(Cl)(=O)=O)C([N+]([O-])=O)=C1 |
| Synonyms | 5-fluoro-4-methyl-2-nitrobenzene-1-sulfonyl chloride,
1804051-34-0,
ZINC396108802,
5-Fluoro-4-methyl-2-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