3958-57-4 Purity
98%
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Specification
The molecular formula of 1,4-Dibromoadamantane is C10H14Br2.
The molecular weight of 1,4-Dibromoadamantane is 294.03 g/mol.
The IUPAC name of 1,4-Dibromoadamantane is 1,4-dibromoadamantane.
The InChI of 1,4-Dibromoadamantane is InChI=1S/C10H14Br2/c11-9-7-1-6-2-8(9)5-10(12,3-6)4-7/h6-9H,1-5H2.
The InChIKey of 1,4-Dibromoadamantane is BPJZBMGMBABTDL-UHFFFAOYSA-N.
The canonical SMILES of 1,4-Dibromoadamantane is C1C2CC3CC(C2)(CC1C3Br)Br.
The CAS number of 1,4-Dibromoadamantane is 39646-72-5.
The XLogP3-AA value of 1,4-Dibromoadamantane is 3.6.
There are 0 hydrogen bond donor counts in 1,4-Dibromoadamantane.
There are 0 hydrogen bond acceptor counts in 1,4-Dibromoadamantane.