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The molecular formula is C16H12N2O2.
The molecular weight is 264.28 g/mol.
The IUPAC name is 4-isocyanato-2-[(2-isocyanatophenyl)methyl]-1-methylbenzene.
The InChI is InChI=1S/C16H12N2O2/c1-12-6-7-15(17-10-19)9-14(12)8-13-4-2-3-5-16(13)18-11-20/h2-7,9H,8H2,1H3.
The InChIKey is UAWLZSHOYIKAEE-UHFFFAOYSA-N.
The Canonical SMILES is CC1=C(C=C(C=C1)N=C=O)CC2=CC=CC=C2N=C=O.
The CAS number is 94166-35-5.
The XLogP3-AA value is 5.8.
It has 4 hydrogen bond acceptors.
Yes, it is a canonicalized compound.
941608-41-9
94161-07-6
941-63-9
94166-36-6
94166-37-7
94166-39-9
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