| CAS Number | 1208076-71-4 |
| Catalog Number | AG00HFRP(AGN-PC-0WAP39) |
| Chemical Name | 2-Chloro-4-fluoro-5-methylbenzenesulfonyl chloride |
| IUPAC Name | 2-chloro-4-fluoro-5-methylbenzenesulfonyl chloride |
| InChI | InChI=1S/C7H5Cl2FO2S/c1-4-2-7(13(9,11)12)5(8)3-6(4)10/h2-3H,1H3 |
| InChI Key | ZBESDXZUNWBMTH-UHFFFAOYSA-N |
| MDL Number | MFCD12026162 |
| Molecular Formula | C7H5Cl2FO2S |
| Molecular Weight | 243.0828 |
| SMILES | S(Cl)(=O)(=O)C1C=C(C)C(=CC=1Cl)F |
| Synonyms | 1208076-71-4,
2-Chloro-4-fluoro-5-methylbenzenesulfonyl chloride,
2-chloro-4-fluoro-5-methylbenzene-1-sulfonyl chloride,
ALBB-027919,
MFCD12026162,
AKOS006335213,
ZINC100295449,
RP28553,
Y-6950,
benzenesulfonyl chloride, 2-chloro-4-fluoro-5-methyl-,
Z1962226760,
|
| Complexity | 275 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 241.937g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 243.073g/mol |
| Monoisotopic Mass | 241.937g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 42.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number