| CAS Number | 893637-41-7 |
| Catalog Number | AG003XLJ(AGN-PC-0WA6OX) |
| Chemical Name | 2-Fluoro-4-[4-(methylsulfanyl)phenyl]benzaldehyde |
| IUPAC Name | 2-fluoro-4-(4-methylsulfanylphenyl)benzaldehyde |
| InChI | InChI=1S/C14H11FOS/c1-17-13-6-4-10(5-7-13)11-2-3-12(9-16)14(15)8-11/h2-9H,1H3 |
| InChI Key | BMZBDTZLGHFOEQ-UHFFFAOYSA-N |
| MDL Number | MFCD08701420 |
| Molecular Formula | C14H11FOS |
| Molecular Weight | 246.2999 |
| SMILES | CSc1ccc(cc1)c1ccc(c(c1)F)C=O |
| Synonyms | 2-Fluoro-4-[4-(methylsulfanyl)phenyl]benzaldehyde,
893637-41-7,
ACMC-209qzq,
C14H11FOS,
CTK8B2600,
DTXSID70629601,
ANW-39252,
MFCD08701420,
ZINC26543793,
AKOS004117020,
TC-127997,
V8786,
B-9050,
3-Fluoro-4'-(methylsulfanyl)[1,1'-biphenyl]-4-carbaldehyde,
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| Complexity | 251 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 246.051g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 246.299g/mol |
| Monoisotopic Mass | 246.051g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 42.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.6 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number