| CAS Number | 654-80-8 |
| Catalog Number | AG01AIY2 |
| Chemical Name | 2-Bromo-5-fluorobenzene-1-sulfonamide |
| IUPAC Name | 2-bromo-5-fluorobenzenesulfonamide |
| InChI | InChI=1S/C6H5BrFNO2S/c7-5-2-1-4(8)3-6(5)12(9,10)11/h1-3H,(H2,9,10,11) |
| InChI Key | AXMJXAXLTZWLHX-UHFFFAOYSA-N |
| MDL Number | MFCD00730948 |
| Molecular Formula | C6H5BrFNO2S |
| Molecular Weight | 254.0768 |
| SMILES | NS(C1=C(Br)C=CC(F)=C1)(=O)=O |
| Synonyms | 2-bromo-5-fluorobenzene-1-sulfonamide,
654-80-8,
2-Bromo-5-fluoro-benzenesulfonamide,
MFCD00730948,
ZINC68593485,
AKOS033370546,
MCULE-9867477029,
NE55865,
EN300-79314,
Z1470757269,
|
| Complexity | 251 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 252.921g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 254.073g/mol |
| Monoisotopic Mass | 252.921g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 68.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number