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The molecular formula is C15H12BrNO2S.
The molecular weight is 350.2 g/mol.
It was created on July 19, 2005, and last modified on December 2, 2023.
The IUPAC name is 1-[(4-bromophenyl)-isocyanomethyl]sulfonyl-4-methylbenzene.
The InChI is InChI=1S/C15H12BrNO2S/c1-11-3-9-14(10-4-11)20(18,19)15(17-2)12-5-7-13(16)8-6-12/h3-10,15H,1H3.
The InChIKey is AMMDZRMHSZRYRW-UHFFFAOYSA-N.
The canonical SMILES is CC1=CC=C(C=C1)S(=O)(=O)C(C2=CC=C(C=C2)Br)[N+]#[C-].
The XLogP3-AA value is 3.7.
It has 0 hydrogen bond donor counts.
It has 3 hydrogen bond acceptor counts.
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