The [1-(3-Chlorophenyl)-1-tosyl]methyl isocyanide is an organic compound with the formula C15H12ClNO2S. The systematic name of this chemical is 1-chloro-3-[isocyano(p-tolylsulfonyl)methyl]benzene. With the CAS registry number 321345-35-1, it is also named as (3-chlorophenyl)(isocyano)methyl 4-methylphenyl sulfone. The product's category is API Intermediates.
Physical properties about [1-(3-Chlorophenyl)-1-tosyl]methyl isocyanide are: (1)#H bond acceptors: 3; (2)#Freely Rotating Bonds: 3; (3)Polar Surface Area: 46.88 Å2.
You can still convert the following datas into molecular structure:
(1)SMILES: Cc1ccc(cc1)S(=O)(=O)C(c2cccc(c2)Cl)[N+]#[C-]
(2)InChI: InChI=1/C15H12ClNO2S/c1-11-6-8-14(9-7-11)20(18,19)15(17-2)12-4-3-5-13(16)10-12/h3-10,15H,1H3
(3)InChIKey: SFOOCPOWQRFRDQ-UHFFFAOYAZ
(4)Std. InChI: InChI=1S/C15H12ClNO2S/c1-11-6-8-14(9-7-11)20(18,19)15(17-2)12-4-3-5-13(16)10-12/h3-10,15H,1H3
(5)Std. InChIKey: SFOOCPOWQRFRDQ-UHFFFAOYSA-N
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