| CAS Number | 1016713-31-7 |
| Catalog Number | AG019X82 |
| Chemical Name | 4-(4-Fluorobenzamido)benzene-1-sulfonyl chloride |
| IUPAC Name | 4-[(4-fluorobenzoyl)amino]benzenesulfonyl chloride |
| InChI | InChI=1S/C13H9ClFNO3S/c14-20(18,19)12-7-5-11(6-8-12)16-13(17)9-1-3-10(15)4-2-9/h1-8H,(H,16,17) |
| InChI Key | KXFCDHAFJMTJLI-UHFFFAOYSA-N |
| MDL Number | MFCD09816176 |
| Molecular Formula | C13H9ClFNO3S |
| Molecular Weight | 313.7319 |
| SMILES | O=S(C1=CC=C(NC(C2=CC=C(F)C=C2)=O)C=C1)(Cl)=O |
| Synonyms | 4-(4-fluorobenzamido)benzene-1-sulfonyl chloride,
1016713-31-7,
4-[(4-fluorobenzene)amido]benzene-1-sulfonyl chloride,
AC1Q4LZI,
ZINC59108382,
AKOS000156390,
NE22350,
EN300-54311,
|
| Complexity | 435 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 312.998g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 20 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 313.727g/mol |
| Monoisotopic Mass | 312.998g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 71.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.7 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number