| Canonical Smiles | C1=CC=C(C(=C1)OCC(=N)N)Cl.Cl |
|---|---|
| IUPAC Name | 2-(2-chlorophenoxy)ethanimidamide;hydrochloride |
| InChIKey | WPWKAEFYVGWTAE-UHFFFAOYSA-N |
| INCHI | 1S/C8H9ClN2O.ClH/c9-6-3-1-2-4-7(6)12-5-8(10)11;/h1-4H,5H2,(H3,10,11);1H |
| Isomeric SMILES | C1=CC=C(C(=C1)OCC(=N)N)Cl.Cl |
| PubChem CID | 2745914 |
| Molecular Weight | 221.08 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Benzenoids |
| Class | Phenol ethers |
| Subclass | Not available |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Phenol ethers |
| Alternative Parents | Phenoxy compounds Chlorobenzenes Alkyl aryl ethers Aryl chlorides Carboximidamides Carboxamidines Organopnictogen compounds Organochlorides Hydrochlorides Hydrocarbon derivatives |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Substituents | Phenoxy compound - Phenol ether - Alkyl aryl ether - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Amidine - Carboximidamide - Carboxylic acid amidine - Ether - Organic nitrogen compound - Organohalogen compound - Organochloride - Organonitrogen compound - Organooxygen compound - Hydrochloride - Hydrocarbon derivative - Organopnictogen compound - Organic oxygen compound - Aromatic homomonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as phenol ethers. These are aromatic compounds containing an ether group substituted with a benzene ring. |
| External Descriptors | Not available |
| Molecular Weight | 221.080 g/mol |
|---|---|
| XLogP3 | |
| Hydrogen Bond Donor Count | 3 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 3 |
| Exact Mass | 220.017 Da |
| Monoisotopic Mass | 220.017 Da |
| Topological Polar Surface Area | 59.100 Ų |
| Heavy Atom Count | 13 |
| Formal Charge | 0 |
| Complexity | 163.000 |
| 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 | 2 |
