| Canonical Smiles | C1=CC(=C(C(=C1)I)F)C=O |
|---|---|
| IUPAC Name | 2-fluoro-3-iodobenzaldehyde |
| InChIKey | PJINTMYHQOGFTQ-UHFFFAOYSA-N |
| INCHI | 1S/C7H4FIO/c8-7-5(4-10)2-1-3-6(7)9/h1-4H |
| Isomeric SMILES | C1=CC(=C(C(=C1)I)F)C=O |
| PubChem CID | 22714189 |
| Molecular Weight | 250 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Benzenoids |
| Class | Benzene and substituted derivatives |
| Subclass | Benzoyl derivatives |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Benzoyl derivatives |
| Alternative Parents | Benzaldehydes Iodobenzenes Fluorobenzenes Aryl iodides Aryl fluorides Vinylogous halides Organoiodides Organofluorides Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Substituents | Benzoyl - Benzaldehyde - Aryl-aldehyde - Iodobenzene - Halobenzene - Fluorobenzene - Aryl iodide - Aryl halide - Aryl fluoride - Vinylogous halide - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organoiodide - Organofluoride - Organohalogen compound - Aldehyde - Aromatic homomonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as benzoyl derivatives. These are organic compounds containing an acyl moiety of benzoic acid with the formula (C6H5CO-). |
| External Descriptors | Not available |
| Molecular Weight | 250.010 g/mol |
|---|---|
| XLogP3 | 2.100 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 1 |
| Exact Mass | 249.929 Da |
| Monoisotopic Mass | 249.929 Da |
| Topological Polar Surface Area | 17.100 Ų |
| Heavy Atom Count | 10 |
| Formal Charge | 0 |
| Complexity | 129.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 0 |
| Covalently-Bonded Unit Count | 1 |
