463-11-6 Purity
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Specification
The molecular formula of 1,2-dibromobutane is C4H8Br2.
The molecular weight of 1,2-dibromobutane is 215.91 g/mol.
The IUPAC name of 1,2-dibromobutane is 1,2-dibromobutane.
The InChI of 1,2-dibromobutane is InChI=1S/C4H8Br2/c1-2-4(6)3-5/h4H,2-3H2,1H3.
The InChIKey of 1,2-dibromobutane is CZWSZZHGSNZRMW-UHFFFAOYSA-N.
The canonical SMILES of 1,2-dibromobutane is CCC(CBr)Br.
The CAS number of 1,2-dibromobutane is 533-98-2.
The XLogP3-AA value of 1,2-dibromobutane is 2.7.
There are 2 rotatable bonds present in 1,2-dibromobutane.
Yes, 1,2-dibromobutane is a canonicalized compound.