| CAS Number | 612541-19-2 |
| Catalog Number | AG01AGM0(AGN-PC-08XT7A) |
| Chemical Name | 5-Bromo-3-fluoro-2-methoxybenzene-1-sulfonyl chloride |
| IUPAC Name | 5-bromo-3-fluoro-2-methoxybenzenesulfonyl chloride |
| InChI | InChI=1S/C7H5BrClFO3S/c1-13-7-5(10)2-4(8)3-6(7)14(9,11)12/h2-3H,1H3 |
| InChI Key | DAKVEQVUSUDIQL-UHFFFAOYSA-N |
| MDL Number | MFCD17012834 |
| Molecular Formula | C7H5BrClFO3S |
| Molecular Weight | 303.5332 |
| SMILES | COC1=C(S(Cl)(=O)=O)C=C(Br)C=C1F |
| Synonyms | 5-bromo-3-fluoro-2-methoxybenzene-1-sulfonyl chloride,
612541-19-2,
AC1Q44QT,
DTXSID80679112,
ZINC100220253,
NE55293,
EN300-72230,
5-bromo-3-fluoro-2-methoxybenzenesulfonyl chloride,
|
| Complexity | 292 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 301.882g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 303.526g/mol |
| Monoisotopic Mass | 301.882g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 51.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.7 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number