| CAS Number | 1378864-51-7 |
| Catalog Number | AG01A4GI |
| Chemical Name | 2-chloro-6-methanesulfonylbenzaldehyde |
| IUPAC Name | 2-chloro-6-methylsulfonylbenzaldehyde |
| InChI | InChI=1S/C8H7ClO3S/c1-13(11,12)8-4-2-3-7(9)6(8)5-10/h2-5H,1H3 |
| InChI Key | GZYLETUVWATVLD-UHFFFAOYSA-N |
| MDL Number | MFCD16619552 |
| Molecular Formula | C8H7ClO3S |
| Molecular Weight | 218.6574 |
| SMILES | CS(C1=C(C=O)C(Cl)=CC=C1)(=O)=O |
| Synonyms | 2-chloro-6-methanesulfonylbenzaldehyde,
1378864-51-7,
2-Chloro-6-(methylsulfonyl)benzaldehyde,
SCHEMBL18621037,
ZINC90225726,
|
| Complexity | 280 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 217.98g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 218.651g/mol |
| Monoisotopic Mass | 217.98g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 59.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.2 |
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