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The molecular formula of a-Tosyl-(2-bromobenzyl)isocyanide is C15H12BrNO2S.
The molecular weight of a-Tosyl-(2-bromobenzyl)isocyanide is 350.2 g/mol.
The CAS number of a-Tosyl-(2-bromobenzyl)isocyanide is 936548-16-2.
The InChI of a-Tosyl-(2-bromobenzyl)isocyanide is InChI=1S/C15H12BrNO2S/c1-11-7-9-12(10-8-11)20(18,19)15(17-2)13-5-3-4-6-14(13)16/h3-10,15H,1H3.
The InChIKey of a-Tosyl-(2-bromobenzyl)isocyanide is FDHXCUCSERDBAT-UHFFFAOYSA-N.
The Canonical SMILES of a-Tosyl-(2-bromobenzyl)isocyanide is CC1=CC=C(C=C1)S(=O)(=O)C(C2=CC=CC=C2Br)[N+]#[C-].
The XLogP3-AA value of a-Tosyl-(2-bromobenzyl)isocyanide is 3.7.
There are 0 hydrogen bond donor counts in a-Tosyl-(2-bromobenzyl)isocyanide.
There are 3 hydrogen bond acceptor counts in a-Tosyl-(2-bromobenzyl)isocyanide.
The topological polar surface area of a-Tosyl-(2-bromobenzyl)isocyanide is 46.9Ų.
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