| CAS Number | 1178830-06-2 |
| Catalog Number | AG0095UQ(AGN-PC-0WNMVB) |
| Chemical Name | (4-Bromo-2-fluorophenyl)methanesulfonyl chloride |
| IUPAC Name | (4-bromo-2-fluorophenyl)methanesulfonyl chloride |
| InChI | InChI=1S/C7H5BrClFO2S/c8-6-2-1-5(7(10)3-6)4-13(9,11)12/h1-3H,4H2 |
| InChI Key | LMRPDUQJLGXKNQ-UHFFFAOYSA-N |
| MDL Number | MFCD11976108 |
| Molecular Formula | C7H5BrClFO2S |
| Molecular Weight | 287.5338 |
| SMILES | FC1=C(CS(Cl)(=O)=O)C=CC(Br)=C1 |
| Synonyms | 1178830-06-2,
(4-bromo-2-fluorophenyl)methanesulfonyl chloride,
4-Bromo-2-fluorobenzylsulfonyl chloride,
4-Bromo-2-fluorobenzylsulphonyl chloride,
AC1Q4L8X,
SCHEMBL7221320,
GEO-03065,
MFCD11976108,
ZINC60036855,
AKOS010296936,
NE57689,
EN300-64407,
(4-Bromo-2-fluorophenyl)methylsulphonyl chloride,
4-Bromo-2-fluorobenzenemethanesulfonic acid chloride,
|
| Complexity | 264 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 285.887g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 287.527g/mol |
| Monoisotopic Mass | 285.887g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 42.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.7 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number