171290-52-1 Purity
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Specification
The molecular formula of (3-Bromo-1-propynyl)benzene is C9H7Br.
The molecular weight of (3-Bromo-1-propynyl)benzene is 195.06 g/mol.
The IUPAC name of (3-Bromo-1-propynyl)benzene is 3-bromoprop-1-ynylbenzene.
The InChI of (3-Bromo-1-propynyl)benzene is InChI=1S/C9H7Br/c10-8-4-7-9-5-2-1-3-6-9/h1-3,5-6H,8H2.
The InChIKey of (3-Bromo-1-propynyl)benzene is RKNCIBMWPVZEAJ-UHFFFAOYSA-N.
The canonical SMILES of (3-Bromo-1-propynyl)benzene is C1=CC=C(C=C1)C#CCBr.
The CAS number of (3-Bromo-1-propynyl)benzene is 1794-48-5.
The European Community (EC) number of (3-Bromo-1-propynyl)benzene is 683-347-6.
The Nikkaji Number of (3-Bromo-1-propynyl)benzene is J889.624K.
Yes, (3-Bromo-1-propynyl)benzene is a canonicalized compound.