3623-15-2 Purity
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Specification
The molecular formula of 4-Bromo-1-butyne is C4H5Br.
The molecular weight of 4-Bromo-1-butyne is 132.99 g/mol.
The IUPAC name of 4-Bromo-1-butyne is 4-bromobut-1-yne.
The InChI of 4-Bromo-1-butyne is InChI=1S/C4H5Br/c1-2-3-4-5/h1H,3-4H2.
The InChIKey of 4-Bromo-1-butyne is XLYOGWXIKVUXCL-UHFFFAOYSA-N.
The canonical SMILES of 4-Bromo-1-butyne is C#CCCBr.
The CAS number of 4-Bromo-1-butyne is 38771-21-0.
The European Community (EC) number of 4-Bromo-1-butyne is 629-361-8.
Yes, 4-Bromo-1-butyne is a canonicalized compound.