927801-13-6 Purity
96%
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Specification
The molecular formula of 4-Chloro-3,6-dibromoquinoline is C9H4Br2ClN.
The molecular weight of 4-Chloro-3,6-dibromoquinoline is 321.39 g/mol.
The IUPAC name of 4-Chloro-3,6-dibromoquinoline is 3,6-dibromo-4-chloroquinoline.
The InChI of 4-Chloro-3,6-dibromoquinoline is InChI=1S/C9H4Br2ClN/c10-5-1-2-8-6(3-5)9(12)7(11)4-13-8/h1-4H.
The InChIKey of 4-Chloro-3,6-dibromoquinoline is PHAZSUJOBODVGL-UHFFFAOYSA-N.
The Canonical SMILES of 4-Chloro-3,6-dibromoquinoline is C1=CC2=NC=C(C(=C2C=C1Br)Cl)Br.
There are 0 hydrogen bond donor counts in 4-Chloro-3,6-dibromoquinoline.
The topological polar surface area of 4-Chloro-3,6-dibromoquinoline is 12.9 Å2.
There are 13 heavy atoms in 4-Chloro-3,6-dibromoquinoline.
Yes, 4-Chloro-3,6-dibromoquinoline is a canonicalized compound.