| CAS Number | 160233-26-1 |
| Catalog Number | AG01AIV5(AGN-PC-03TYEC) |
| Chemical Name | 3-acetamido-4-fluorobenzene-1-sulfonyl chloride |
| IUPAC Name | 3-acetamido-4-fluorobenzenesulfonyl chloride |
| InChI | InChI=1S/C8H7ClFNO3S/c1-5(12)11-8-4-6(15(9,13)14)2-3-7(8)10/h2-4H,1H3,(H,11,12) |
| InChI Key | QYHTYCODTAPJMY-UHFFFAOYSA-N |
| MDL Number | MFCD19686235 |
| Molecular Formula | C8H7ClFNO3S |
| Molecular Weight | 251.6625 |
| SMILES | C(C)(=O)NC=1C=C(C=CC1F)S(=O)(=O)Cl |
| Synonyms | 3-acetamido-4-fluorobenzene-1-sulfonyl chloride,
160233-26-1,
SCHEMBL1602690,
QYHTYCODTAPJMY-UHFFFAOYSA-N,
ZINC100634195,
NE21522,
3-acetamido-4-fluorobenzenesulfonyl chloride,
3-acetamido-4-fluorob-enzenesulfonyl chloride,
EN300-79102,
|
| Complexity | 340 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 250.982g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 251.656g/mol |
| Monoisotopic Mass | 250.982g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 71.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number