| CAS Number | 943835-77-6 |
| Catalog Number | AG00II4C(AGN-PC-0WANGJ) |
| Chemical Name | 5-Fluoro-2-(phenylethynyl)benzaldehyde |
| IUPAC Name | 5-fluoro-2-(2-phenylethynyl)benzaldehyde |
| InChI | InChI=1S/C15H9FO/c16-15-9-8-13(14(10-15)11-17)7-6-12-4-2-1-3-5-12/h1-5,8-11H |
| InChI Key | CVVZKIZTBMTKLW-UHFFFAOYSA-N |
| MDL Number | MFCD28359713 |
| Molecular Formula | C15H9FO |
| Molecular Weight | 224.2298 |
| SMILES | FC=1C=CC(=C(C=O)C1)C#CC1=CC=CC=C1 |
| Synonyms | 5-Fluoro-2-(phenylethynyl)benzaldehyde,
943835-77-6,
SCHEMBL15895659,
MFCD28359713,
AKOS027324375,
ZINC140979188,
2-(Phenylethynyl)-5-fluorobenzaldehyde,
5-fluoro-2-(2-phenylethynyl)benzaldehyde,
AK317447,
DS-11495,
F2167-5394,
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| Complexity | 318 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 224.064g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 224.234g/mol |
| Monoisotopic Mass | 224.064g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 17.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.5 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number