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The molecular formula is C17H11N3O3.
It was created on August 20, 2009, and last modified on December 30, 2023.
The IUPAC name is 1,3-diisocyanato-5-[(2-isocyanatophenyl)methyl]-2-methylbenzene.
The InChI is InChI=1S/C17H11N3O3/c1-12-16(19-10-22)7-13(8-17(12)20-11-23)6-14-4-2-3-5-15(14)18-9-21/h2-5,7-8H,6H2,1H3.
The InChIKey is GMRNPNMSFIZWBC-UHFFFAOYSA-N.
The Canonical SMILES is CC1=C(C=C(C=C1N=C=O)CC2=CC=CC=C2N=C=O).
The CAS number is 94166-83-3.
The molecular weight is 305.29 g/mol.
The compound has 6 hydrogen bond acceptors.
Yes, the compound is canonicalized according to PubChem.
94166-79-7
94166-80-0
94166-82-2
94166-84-4
94166-93-5
94167-02-9
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![3-[(2-Isocyanatocyclohexyl)methyl]-O-tolyl isocyanate](https://resource.alfa-chemistry.com/structure/94166-79-7.gif)
![4-[o-Isocyanatobenzyl]-O-tolyl isocyanato](https://resource.alfa-chemistry.com/structure/94166-82-2.gif)
