| CAS Number | 1240257-88-8 |
| Catalog Number | AG00HHI4(AGN-PC-0WAOQK) |
| Chemical Name | 3-Chloro-5-(pentafluorosulfur)benzaldehyde |
| IUPAC Name | 3-chloro-5-(pentafluoro-λ6-sulfanyl)benzaldehyde |
| InChI | InChI=1S/C7H4ClF5OS/c8-6-1-5(4-14)2-7(3-6)15(9,10,11,12)13/h1-4H |
| InChI Key | AHEFJQKJBDJLSO-UHFFFAOYSA-N |
| MDL Number | MFCD16652412 |
| Molecular Formula | C7H4ClF5OS |
| Molecular Weight | 266.6161 |
| SMILES | S(F)(F)(F)(F)(F)C1=CC(C([H])=O)=CC(Cl)=C1 |
| Synonyms | 3-Chloro-5-(pentafluorosulfur)benzaldehyde,
1240257-88-8,
MFCD16652412,
ZINC97949974,
AKOS015956802,
JS-4044,
PC302048,
3-Chloro-5-(5-pentafluorothio)benzaldehyde,
3-CHLORO-5-(PENTAFLUORO-??-SULFANYL)BENZALDEHYDE,
|
| Complexity | 275 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 265.959154g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 266.62g/mol |
| Monoisotopic Mass | 265.959154g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 18.1Ų |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 5.3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number