| CAS Number | 1342646-67-6 |
| Catalog Number | AG01A591 |
| Chemical Name | 4-bromo-2-(ethylsulfanyl)benzaldehyde |
| IUPAC Name | 4-bromo-2-ethylsulfanylbenzaldehyde |
| InChI | InChI=1S/C9H9BrOS/c1-2-12-9-5-8(10)4-3-7(9)6-11/h3-6H,2H2,1H3 |
| InChI Key | RVDIOIZTWJEBFD-UHFFFAOYSA-N |
| MDL Number | MFCD18887666 |
| Molecular Formula | C9H9BrOS |
| Molecular Weight | 245.1362 |
| SMILES | CCSC1=C(C=O)C=CC(Br)=C1 |
| Synonyms | 4-bromo-2-(ethylsulfanyl)benzaldehyde,
1342646-67-6,
ZINC82612272,
AKOS013115182,
NE50467,
|
| Complexity | 152 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 243.956g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 245.134g/mol |
| Monoisotopic Mass | 243.956g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 42.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number