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Structure via PubChem · Public domain (PubChem)

EntityQ642690· pop 12· linked from 14 articles

Boroles represent a class of molecules known as metalloles, which are heterocyclic 5-membered rings. As such, they can be viewed as structural analogs of cyclopentadiene, pyrrole or furan, with boron replacing a carbon, nitrogen and oxygen atom respectively. They are isoelectronic with the cyclopentadienyl cation or abbreviated as and comprise four π electrons. Although Hückel's rule cannot be strictly applied to borole, it is considered to be antiaromatic due to having 4 π electrons. As a result, boroles exhibit unique electronic properties not found in other metalloles.

Chemical data

Formula
C4H5B
Molecular weight
63.9 g/mol
IUPAC name
1H-borole
SMILES
B1C=CC=C1
InChIKey
XQIMLPCOVYNASM-UHFFFAOYSA-N
Polar surface area
0 Ų
H-bond donors
0
H-bond acceptors
0
Formal charge
0

via PubChem

Wikidata facts

Has part
hydrogen
Mass
64.048431
Show 3 more facts
canonical SMILES
B1C=CC=C1
chemical formula
C₄H₅B
Commons category
Borole
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