| CAS Number | 1155910-53-4 |
| Catalog Number | AG01AAIK |
| Chemical Name | methyl 4-bromo-5-(chlorosulfonyl)-2-fluorobenzoate |
| IUPAC Name | methyl 4-bromo-5-chlorosulfonyl-2-fluorobenzoate |
| InChI | InChI=1S/C8H5BrClFO4S/c1-15-8(12)4-2-7(16(10,13)14)5(9)3-6(4)11/h2-3H,1H3 |
| InChI Key | AZHWNKSWWMAMNS-UHFFFAOYSA-N |
| MDL Number | MFCD12169494 |
| Molecular Formula | C8H5BrClFO4S |
| Molecular Weight | 331.5433 |
| SMILES | COC(C1=C(F)C=C(Br)C(S(Cl)(=O)=O)=C1)=O |
| Synonyms | methyl 4-bromo-5-(chlorosulfonyl)-2-fluorobenzoate,
1155910-53-4,
AC1Q42GG,
ZINC59262012,
NE34908,
EN300-68708,
|
| Complexity | 369 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 329.876g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 331.536g/mol |
| Monoisotopic Mass | 329.876g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 68.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.6 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number