| CAS Number | 1155084-72-2 |
| Catalog Number | AG01BA48 |
| Chemical Name | ethyl 2-bromo-5-(chlorosulfonyl)-4-fluorobenzoate |
| IUPAC Name | ethyl 2-bromo-5-chlorosulfonyl-4-fluorobenzoate |
| InChI | InChI=1S/C9H7BrClFO4S/c1-2-16-9(13)5-3-8(17(11,14)15)7(12)4-6(5)10/h3-4H,2H2,1H3 |
| InChI Key | ROXBGSACMAWORX-UHFFFAOYSA-N |
| MDL Number | MFCD12169522 |
| Molecular Formula | C9H7BrClFO4S |
| Molecular Weight | 345.5699 |
| SMILES | CCOC(C1=C(Br)C=C(F)C(S(Cl)(=O)=O)=C1)=O |
| Synonyms | ethyl 2-bromo-5-(chlorosulfonyl)-4-fluorobenzoate,
1155084-72-2,
ZINC59262142,
|
| Complexity | 383 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 343.892g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 345.563g/mol |
| Monoisotopic Mass | 343.892g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 68.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number