| Canonical Smiles | C1=CC=C(C=C1)C2=NNC(=O)C=C2Cl |
|---|---|
| IUPAC Name | 4-chloro-3-phenyl-1H-pyridazin-6-one |
| InChIKey | ZIBQCQDAFOPHBJ-UHFFFAOYSA-N |
| INCHI | 1S/C10H7ClN2O/c11-8-6-9(14)12-13-10(8)7-4-2-1-3-5-7/h1-6H,(H,12,14) |
| Isomeric SMILES | C1=CC=C(C=C1)C2=NNC(=O)C=C2Cl |
| PubChem CID | 2735803 |
| Molecular Weight | 220.66 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organoheterocyclic compounds |
| Class | Diazines |
| Subclass | Pyridazines and derivatives |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Phenylpyridazines |
| Alternative Parents | Pyridazinones Benzene and substituted derivatives Aryl chlorides Vinylogous halides Heteroaromatic compounds Lactams Azacyclic compounds Organopnictogen compounds Organooxygen compounds Organonitrogen compounds Organochlorides Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | Phenylpyridazine - Pyridazinone - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Benzenoid - Heteroaromatic compound - Vinylogous halide - Lactam - Azacycle - Organic nitrogen compound - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organochloride - Organohalogen compound - Organic oxide - Organopnictogen compound - Organic oxygen compound - Aromatic heteromonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as phenylpyridazines. These are organic compounds containing a pyridazine ring substituted by a phenyl group. |
| External Descriptors | Not available |
| Molecular Weight | 206.630 g/mol |
|---|---|
| XLogP3 | 2.100 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 1 |
| Exact Mass | 206.025 Da |
| Monoisotopic Mass | 206.025 Da |
| Topological Polar Surface Area | 41.500 Ų |
| Heavy Atom Count | 14 |
| Formal Charge | 0 |
| Complexity | 303.000 |
| 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 |
