≥90% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Room temperature Ships Normal Check lot-specific COA for exact specifications.
SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.
Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
| Canonical Smiles | C1=CC(=CC=C1C2C3=C(C=C4C=CC(=CC4=C3)Br)OC(=C2C#N)N)F |
|---|---|
| IUPAC Name | 2-amino-7-bromo-4-(4-fluorophenyl)-4H-benzo[g]chromene-3-carbonitrile |
| InChIKey | NRICOWHMBLMCBV-UHFFFAOYSA-N |
| INCHI | 1S/C20H12BrFN2O/c21-14-4-1-12-9-18-16(8-13(12)7-14)19(17(10-23)20(24)25-18)11-2-5-15(22)6-3-11/h1-9,19H,24H2 |
| Isomeric SMILES | C1=CC(=CC=C1C2C3=C(C=C4C=CC(=CC4=C3)Br)OC(=C2C#N)N)F |
| PubChem CID | 5260625 |
| Molecular Weight | 395.24 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
Download SDS →Lot-specific quality data. Enter your lot number to retrieve the exact COA.
Look up COA →Full quality attributes and acceptance criteria for this grade.
View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Phenylpropanoids and polyketides |
| Class | Neoflavonoids |
| Subclass | Not available |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Neoflavonoids |
| Alternative Parents | Naphthopyrans Naphthalenes 1-benzopyrans Fluorobenzenes Pyrans Aryl fluorides Aryl bromides Ketene acetals Oxacyclic compounds Nitriles Organopnictogen compounds Organofluorides Organobromides Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Neoflavonoid skeleton - Naphthopyran - Benzopyran - Naphthalene - 1-benzopyran - Fluorobenzene - Halobenzene - Aryl bromide - Aryl fluoride - Aryl halide - Monocyclic benzene moiety - Pyran - Benzenoid - Ketene acetal or derivatives - Nitrile - Carbonitrile - Oxacycle - Organoheterocyclic compound - Organobromide - Organohalogen compound - Hydrocarbon derivative - Cyanide - Organopnictogen compound - Organic oxygen compound - Organofluoride - Organonitrogen compound - Organooxygen compound - Organic nitrogen compound - Aromatic heteropolycyclic compound |
| Description | This compound belongs to the class of organic compounds known as neoflavonoids. These are compounds with a structure based on the 4-phenylchromene backbone. |
| External Descriptors | Not available |
| Molecular Weight | 395.200 g/mol |
|---|---|
| XLogP3 | 5.300 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 1 |
| Exact Mass | 394.012 Da |
| Monoisotopic Mass | 394.012 Da |
| Topological Polar Surface Area | 59.000 Ų |
| Heavy Atom Count | 25 |
| Formal Charge | 0 |
| Complexity | 592.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 0 |
| Covalently-Bonded Unit Count | 1 |
![2-amino-7-bromo-4-(4-fluorophenyl)-4H-benzo[g]chromene-3-carbonitrile - ≥90% , CAS No.861208-27-7](https://www.aladdinsci.com/media/catalog/product/placeholder/default/default_4.jpg)