| ALogP | 4.3 |
|---|
| Canonical Smiles | C1=CC(=CC=C1C(F)(F)Br)Br |
|---|---|
| IUPAC Name | 1-bromo-4-[bromo(difluoro)methyl]benzene |
| InChIKey | ZOTJZUPHVSVCKX-UHFFFAOYSA-N |
| INCHI | 1S/C7H4Br2F2/c8-6-3-1-5(2-4-6)7(9,10)11/h1-4H |
| Isomeric SMILES | C1=CC(=CC=C1C(F)(F)Br)Br |
| PubChem CID | 22328069 |
| Molecular Weight | 285.91 |
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 | Bromobenzenes |
| Alternative Parents | Aryl bromides Organofluorides Organobromides Hydrocarbon derivatives Alkyl fluorides Alkyl bromides |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Substituents | Bromobenzene - Aryl halide - Aryl bromide - Hydrocarbon derivative - Organofluoride - Organobromide - Organohalogen compound - Alkyl halide - Alkyl fluoride - Alkyl bromide - Aromatic homomonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as bromobenzenes. These are organic compounds containing a bromine atom attached to a benzene ring. |
| External Descriptors | Not available |
| Molecular Weight | 285.910 g/mol |
|---|---|
| XLogP3 | 4.300 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 1 |
| Exact Mass | 285.863 Da |
| Monoisotopic Mass | 283.865 Da |
| Topological Polar Surface Area | 0.000 Ų |
| Heavy Atom Count | 11 |
| Formal Charge | 0 |
| Complexity | 130.000 |
| 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 |
