| CAS Number | 1283859-52-8 |
| Catalog Number | AG01B8FQ(AGN-PC-0WCLK0) |
| Chemical Name | 3-Bromo-4-(4-fluorophenoxy)benzene-1-sulfonyl chloride |
| IUPAC Name | 3-bromo-4-(4-fluorophenoxy)benzenesulfonyl chloride |
| InChI | InChI=1S/C12H7BrClFO3S/c13-11-7-10(19(14,16)17)5-6-12(11)18-9-3-1-8(15)2-4-9/h1-7H |
| InChI Key | YFXVQQOKLWSNRF-UHFFFAOYSA-N |
| MDL Number | MFCD16512195 |
| Molecular Formula | C12H7BrClFO3S |
| Molecular Weight | 365.6026 |
| SMILES | FC1=CC=C(OC2=C(Br)C=C(S(Cl)(=O)=O)C=C2)C=C1 |
| Synonyms | 3-Bromo-4-(4-fluorophenoxy)benzene-1-sulfonyl chloride,
1283859-52-8,
AKOS010983312,
ZINC109526806,
|
| Complexity | 392 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 363.897g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 19 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 365.597g/mol |
| Monoisotopic Mass | 363.897g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 51.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4.3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number