| CAS Number | 1379327-84-0 |
| Catalog Number | AG01A283 |
| Chemical Name | 5-Chloro-2-(ethylsulfonyl)benzaldehyde |
| IUPAC Name | 5-chloro-2-ethylsulfonylbenzaldehyde |
| InChI | InChI=1S/C9H9ClO3S/c1-2-14(12,13)9-4-3-8(10)5-7(9)6-11/h3-6H,2H2,1H3 |
| InChI Key | WZLFJNOVMKSUQN-UHFFFAOYSA-N |
| MDL Number | MFCD16619553 |
| Molecular Formula | C9H9ClO3S |
| Molecular Weight | 232.6840 |
| SMILES | CCS(C1=C(C=O)C=C(Cl)C=C1)(=O)=O |
| Synonyms | 5-chloro-2-(ethanesulfonyl)benzaldehyde,
1379327-84-0,
5-Chloro-2-(ethylsulfonyl)benzaldehyde,
ZINC82164661,
|
| Complexity | 294 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 231.996g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 232.678g/mol |
| Monoisotopic Mass | 231.996g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 59.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.6 |
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Certificate of Analysis
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