| Canonical Smiles | C1COC2=C1C(=C(C=C2)Cl)N |
|---|---|
| IUPAC Name | 5-chloro-2,3-dihydro-1-benzofuran-4-amine |
| InChIKey | RCCQFCDSKKIMJZ-UHFFFAOYSA-N |
| INCHI | 1S/C8H8ClNO/c9-6-1-2-7-5(8(6)10)3-4-11-7/h1-2H,3-4,10H2 |
| Molecular Weight | 169.61 |
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organoheterocyclic compounds |
| Class | Coumarans |
| Subclass | Not available |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Coumarans |
| Alternative Parents | Alkyl aryl ethers Primary aromatic amines Benzenoids Aryl chlorides Oxacyclic compounds Organopnictogen compounds Organochlorides Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Coumaran - Alkyl aryl ether - Aryl chloride - Aryl halide - Primary aromatic amine - Benzenoid - Ether - Oxacycle - Primary amine - Organooxygen compound - Organonitrogen compound - Organochloride - Organohalogen compound - Organic nitrogen compound - Organopnictogen compound - Organic oxygen compound - Hydrocarbon derivative - Amine - Aromatic heteropolycyclic compound |
| Description | This compound belongs to the class of organic compounds known as coumarans. These are compounds containing the coumaran skeleton, which consists of a benzene ring fused to a 2,3-dihydrofuran ring. |
| External Descriptors | Not available |
| Molecular Weight | 169.610 g/mol |
|---|---|
| XLogP3 | 1.900 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 0 |
| Exact Mass | 169.029 Da |
| Monoisotopic Mass | 169.029 Da |
| Topological Polar Surface Area | 35.300 Ų |
| Heavy Atom Count | 11 |
| Formal Charge | 0 |
| Complexity | 153.000 |
| 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 |
