| CAS Number | 1289042-68-7 |
| Catalog Number | AG01DNLW |
| Chemical Name | 4-Fluoro-3-(methylsulfanyl)benzaldehyde |
| IUPAC Name | 4-fluoro-3-methylsulfanylbenzaldehyde |
| InChI | InChI=1S/C8H7FOS/c1-11-8-4-6(5-10)2-3-7(8)9/h2-5H,1H3 |
| InChI Key | RGOYGWMBLZXNNL-UHFFFAOYSA-N |
| MDL Number | MFCD22543662 |
| Molecular Formula | C8H7FOS |
| Molecular Weight | 170.2040 |
| SMILES | CSc1cc(C=O)ccc1F |
| Synonyms | 4-Fluoro-3-(methylthio)benzaldehyde,
1289042-68-7,
SCHEMBL20529249,
MFCD22543662,
ZINC90413099,
4-FLUORO-3-(METHYLSULFANYL)BENZALDEHYDE,
Q-8375,
C8H7FOS,
Z0020,
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| Complexity | 140 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 170.02g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 170.201g/mol |
| Monoisotopic Mass | 170.02g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 42.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2 |
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Certificate of Analysis
Lot Number