| CAS Number | 1094690-77-3 |
| Catalog Number | AG019NDX |
| Chemical Name | 3-chloro-2-fluoro-5-nitrobenzene-1-sulfonyl chloride |
| IUPAC Name | 3-chloro-2-fluoro-5-nitrobenzenesulfonyl chloride |
| InChI | InChI=1S/C6H2Cl2FNO4S/c7-4-1-3(10(11)12)2-5(6(4)9)15(8,13)14/h1-2H |
| InChI Key | BCBSUYNGKFZYTP-UHFFFAOYSA-N |
| MDL Number | MFCD11212857 |
| Molecular Formula | C6H2Cl2FNO4S |
| Molecular Weight | 274.0538 |
| SMILES | [O-][N+](C1=CC(S(Cl)(=O)=O)=C(F)C(Cl)=C1)=O |
| Synonyms | 3-chloro-2-fluoro-5-nitrobenzene-1-sulfonyl chloride,
1094690-77-3,
ZINC59103391,
AKOS009343952,
|
| Complexity | 351 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 272.907g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 274.043g/mol |
| Monoisotopic Mass | 272.907g/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