| Canonical Smiles | C1OC2=C(O1)C=C(C=C2)C(=O)C3=CC=C(C=C3)Cl |
|---|---|
| IUPAC Name | 1,3-benzodioxol-5-yl-(4-chlorophenyl)methanone |
| InChIKey | RLBFWLQJDHOFNP-UHFFFAOYSA-N |
| INCHI | 1S/C14H9ClO3/c15-11-4-1-9(2-5-11)14(16)10-3-6-12-13(7-10)18-8-17-12/h1-7H,8H2 |
| Isomeric SMILES | C1OC2=C(O1)C=C(C=C2)C(=O)C3=CC=C(C=C3)Cl |
| PubChem CID | 43338277 |
| Molecular Weight | 260.67 |
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 | Benzophenones |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Benzophenones |
| Alternative Parents | Aryl-phenylketones Benzodioxoles Benzoyl derivatives Chlorobenzenes Aryl chlorides Oxacyclic compounds Acetals Organochlorides Organic oxides Hydrocarbon derivatives Aldehydes |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Benzophenone - Aryl-phenylketone - Benzodioxole - Benzoyl - Aryl ketone - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - Ketone - Acetal - Organoheterocyclic compound - Oxacycle - Organochloride - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Aldehyde - Organohalogen compound - Aromatic heteropolycyclic compound |
| Description | This compound belongs to the class of organic compounds known as benzophenones. These are organic compounds containing a ketone attached to two phenyl groups. |
| External Descriptors | Not available |
| Molecular Weight | 260.670 g/mol |
|---|---|
| XLogP3 | 3.600 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 2 |
| Exact Mass | 260.024 Da |
| Monoisotopic Mass | 260.024 Da |
| Topological Polar Surface Area | 35.500 Ų |
| Heavy Atom Count | 18 |
| Formal Charge | 0 |
| Complexity | 312.000 |
| 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 |
