| Canonical Smiles | CC(C)NC1=C(C(=C(C=C1N)Br)F)F |
|---|---|
| IUPAC Name | 5-bromo-3,4-difluoro-2-N-propan-2-ylbenzene-1,2-diamine |
| InChIKey | BEOOLEKKWFESTO-UHFFFAOYSA-N |
| INCHI | 1S/C9H11BrF2N2/c1-4(2)14-9-6(13)3-5(10)7(11)8(9)12/h3-4,14H,13H2,1-2H3 |
| Isomeric SMILES | CC(C)NC1=C(C(=C(C=C1N)Br)F)F |
| PubChem CID | 70699718 |
| Molecular Weight | 265.09 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organic nitrogen compounds |
| Class | Organonitrogen compounds |
| Subclass | Amines |
| Intermediate Tree Nodes | Aralkylamines - Phenylalkylamines |
| Direct Parent | Phenylisopropylamines |
| Alternative Parents | Aniline and substituted anilines Secondary alkylarylamines Fluorobenzenes Bromobenzenes Aryl fluorides Aryl bromides Primary amines Organofluorides Organobromides Hydrocarbon derivatives |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Substituents | Phenylisopropylamine - Aniline or substituted anilines - Secondary aliphatic/aromatic amine - Bromobenzene - Fluorobenzene - Halobenzene - Aryl bromide - Benzenoid - Aryl fluoride - Aryl halide - Monocyclic benzene moiety - Secondary amine - Organobromide - Organofluoride - Primary amine - Hydrocarbon derivative - Organohalogen compound - Aromatic homomonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as phenylisopropylamines. These are organic aromatic compounds containing a 1-phenylpropan-2-amine moiety. |
| External Descriptors | Not available |
| Molecular Weight | 265.100 g/mol |
|---|---|
| XLogP3 | 2.900 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 2 |
| Exact Mass | 264.007 Da |
| Monoisotopic Mass | 264.007 Da |
| Topological Polar Surface Area | 38.100 Ų |
| Heavy Atom Count | 14 |
| Formal Charge | 0 |
| Complexity | 192.000 |
| 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 |
