| Canonical Smiles | CC1=C(C=C(C=C1Cl)Br)F |
|---|---|
| IUPAC Name | 5-bromo-1-chloro-3-fluoro-2-methylbenzene |
| InChIKey | ZBERASGCRWMSSO-UHFFFAOYSA-N |
| INCHI | 1S/C7H5BrClF/c1-4-6(9)2-5(8)3-7(4)10/h2-3H,1H3 |
| Isomeric SMILES | CC1=C(C=C(C=C1Cl)Br)F |
| PubChem CID | 72942781 |
| Molecular Weight | 223.47 |
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 | Halobenzenes |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Fluorobenzenes |
| Alternative Parents | Toluenes Chlorobenzenes Bromobenzenes Aryl fluorides Aryl chlorides Aryl bromides Organofluorides Organochlorides Organobromides Hydrocarbon derivatives |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Substituents | Toluene - Fluorobenzene - Chlorobenzene - Bromobenzene - Aryl halide - Aryl fluoride - Aryl chloride - Aryl bromide - Hydrocarbon derivative - Organofluoride - Organochloride - Organobromide - Organohalogen compound - Aromatic homomonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as fluorobenzenes. These are compounds containing one or more fluorine atoms attached to a benzene ring. |
| External Descriptors | Not available |
| Molecular Weight | 223.470 g/mol |
|---|---|
| XLogP3 | 3.700 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 1 |
| Rotatable Bond Count | 0 |
| Exact Mass | 221.925 Da |
| Monoisotopic Mass | 221.925 Da |
| Topological Polar Surface Area | 0.000 Ų |
| Heavy Atom Count | 10 |
| Formal Charge | 0 |
| Complexity | 120.000 |
| 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 |
