1074-15-3 Purity
98%
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Specification
The molecular formula of 1,3-Dibromobutane is C4H8Br2.
The molecular weight of 1,3-Dibromobutane is 215.91 g/mol.
The IUPAC name of 1,3-Dibromobutane is 1,3-dibromobutane.
The InChI of 1,3-Dibromobutane is InChI=1S/C4H8Br2/c1-4(6)2-3-5/h4H,2-3H2,1H3.
The InChIKey of 1,3-Dibromobutane is XZNGUVQDFJHPLU-UHFFFAOYSA-N.
The canonical SMILES of 1,3-Dibromobutane is CC(CCBr)Br.
The CAS number of 1,3-Dibromobutane is 107-80-2.
The XLogP3-AA value of 1,3-Dibromobutane is 2.5.
The heavy atom count of 1,3-Dibromobutane is 6.
Yes, 1,3-Dibromobutane is a canonicalized compound according to PubChem.