| CAS Number | 1261823-28-2 |
| Catalog Number | AG009Y2K |
| Chemical Name | 2-Fluoro-6-formylbenzonitrile |
| IUPAC Name | 2-fluoro-6-formylbenzonitrile |
| InChI | InChI=1S/C8H4FNO/c9-8-3-1-2-6(5-11)7(8)4-10/h1-3,5H |
| InChI Key | PDDGTQCMSDSHFX-UHFFFAOYSA-N |
| MDL Number | MFCD18394004 |
| Molecular Formula | C8H4FNO |
| Molecular Weight | 149.1219 |
| SMILES | C1=CC(=C(C(=C1)F)C#N)C=O |
| Synonyms | 2-fluoro-6-formylbenzonitrile,
1261823-28-2,
2-Cyano-3-fluorobenzaldehyde,
SCHEMBL5381816,
ZINC96868722,
AKOS017515373,
|
| Complexity | 196 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 149.028g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 149.124g/mol |
| Monoisotopic Mass | 149.028g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 40.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.2 |
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Certificate of Analysis
Lot Number