104-82-5 Purity
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Specification
The molecular formula of 1-Bromo-4-phenylbutane is C10H13Br.
The molecular weight of 1-Bromo-4-phenylbutane is 213.11 g/mol.
The IUPAC name of 1-Bromo-4-phenylbutane is 4-bromobutylbenzene.
The InChI code of 1-Bromo-4-phenylbutane is InChI=1S/C10H13Br/c11-9-5-4-8-10-6-2-1-3-7-10/h1-3,6-7H,4-5,8-9H2.
The InChIKey of 1-Bromo-4-phenylbutane is XPBQQAHIVODAIC-UHFFFAOYSA-N.
The canonical SMILES of 1-Bromo-4-phenylbutane is C1=CC=C(C=C1)CCCCBr.
The CAS number of 1-Bromo-4-phenylbutane is 13633-25-5.
The European Community (EC) number of 1-Bromo-4-phenylbutane is 671-058-8.
The DSSTox Substance ID of 1-Bromo-4-phenylbutane is DTXSID10293481.
Yes, 1-Bromo-4-phenylbutane is a canonicalized compound.