| CAS Number | 1016513-15-7 |
| Catalog Number | AG019P7C(AGN-PC-0WCOIR) |
| Chemical Name | 4-(m-tolyloxy)benzenesulfonyl chloride |
| IUPAC Name | 4-(3-methylphenoxy)benzenesulfonyl chloride |
| InChI | InChI=1S/C13H11ClO3S/c1-10-3-2-4-12(9-10)17-11-5-7-13(8-6-11)18(14,15)16/h2-9H,1H3 |
| InChI Key | JDVZTWUXYRFLIQ-UHFFFAOYSA-N |
| MDL Number | MFCD09927830 |
| Molecular Formula | C13H11ClO3S |
| Molecular Weight | 282.7426 |
| SMILES | CC1=CC(OC2=CC=C(S(Cl)(=O)=O)C=C2)=CC=C1 |
| Synonyms | 4-(m-tolyloxy)benzenesulfonyl chloride,
1016513-15-7,
4-(3-methylphenoxy)benzene-1-sulfonyl chloride,
AKOS000168122,
ZINC100562277,
MCULE-9054679287,
NE25658,
4-(m-tolyloxy)benzene-1-sulfonyl chloride,
CS-0076686,
F9995-1766,
4-(3-methylphenoxy)benzenesulfonyl chloride,
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| Complexity | 355 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 282.012g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 282.738g/mol |
| Monoisotopic Mass | 282.012g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 51.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4.2 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number