| Canonical Smiles | C1=CC(=CC=C1COC2=C(C=C(C=C2)Br)C(=O)Cl)F |
|---|---|
| IUPAC Name | 5-bromo-2-[(4-fluorophenyl)methoxy]benzoyl chloride |
| InChIKey | LXEFCZBYXFCCQY-UHFFFAOYSA-N |
| INCHI | 1S/C14H9BrClFO2/c15-10-3-6-13(12(7-10)14(16)18)19-8-9-1-4-11(17)5-2-9/h1-7H,8H2 |
| Isomeric SMILES | C1=CC(=CC=C1COC2=C(C=C(C=C2)Br)C(=O)Cl)F |
| PubChem CID | 46779668 |
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 | Benzoic acids and derivatives |
| Intermediate Tree Nodes | Halobenzoic acids and derivatives |
| Direct Parent | 3-halobenzoic acids and derivatives |
| Alternative Parents | Phenoxy compounds Phenol ethers Benzoyl derivatives Fluorobenzenes Bromobenzenes Alkyl aryl ethers Aryl fluorides Aryl bromides Acyl chlorides Organofluorides Organochlorides Organobromides Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Substituents | 3-halobenzoic acid or derivatives - Phenoxy compound - Benzoyl - Phenol ether - Alkyl aryl ether - Bromobenzene - Fluorobenzene - Halobenzene - Aryl bromide - Aryl fluoride - Aryl halide - Ether - Acyl halide - Acyl chloride - Organofluoride - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organohalogen compound - Organobromide - Organochloride - Aromatic homomonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as 3-halobenzoic acids and derivatives. These are benzoic acids or derivatives carrying a halogen atom at the 3-position of the benzene ring. |
| External Descriptors | Not available |
| Molecular Weight | 343.570 g/mol |
|---|---|
| XLogP3 | 4.700 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 4 |
| Exact Mass | 341.946 Da |
| Monoisotopic Mass | 341.946 Da |
| Topological Polar Surface Area | 26.300 Ų |
| Heavy Atom Count | 19 |
| Formal Charge | 0 |
| Complexity | 308.000 |
| 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 |
![5-Bromo-2-[(4-fluorobenzyl)oxy]benzoyl chloride - ≥97% , CAS No.1160250-07-6](https://www.aladdinsci.com/media/catalog/product/placeholder/default/default_4.jpg)