| CAS Number | 214353-90-9 |
| Catalog Number | AG01A89G |
| Chemical Name | 4-(4-Cyanophenoxy)benzene-1-sulfonyl chloride |
| IUPAC Name | 4-(4-cyanophenoxy)benzenesulfonyl chloride |
| InChI | InChI=1S/C13H8ClNO3S/c14-19(16,17)13-7-5-12(6-8-13)18-11-3-1-10(9-15)2-4-11/h1-8H |
| InChI Key | NPBRNBLZNUPDMG-UHFFFAOYSA-N |
| MDL Number | MFCD09805978 |
| Molecular Formula | C13H8ClNO3S |
| Molecular Weight | 293.7255 |
| SMILES | ClS(C1=CC=C(OC2=CC=C(C#N)C=C2)C=C1)(=O)=O |
| Synonyms | 4-(4-cyanophenoxy)benzene-1-sulfonyl chloride,
214353-90-9,
EN300-61079,
AC1Q3VL9,
SCHEMBL6338950,
CTK7C8100,
AKOS000166549,
ZINC100603656,
NE54968,
SEL10031232,
|
| Complexity | 434 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 292.991g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 19 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 293.721g/mol |
| Monoisotopic Mass | 292.991g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 75.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.2 |
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Certificate of Analysis
Lot Number