CAS
15051-46-4 Purity
96%
15051-46-4 Purity
96%
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Specification
The molecular formula is C9H5ClN2O2.
The molecular weight is 208.60 g/mol.
The IUPAC name is 1-chloro-2,4-diisocyanato-5-methylbenzene.
The InChI is InChI=1S/C9H5ClN2O2/c1-6-2-7(10)9(12-5-14)3-8(6)11-4-13/h2-3H,1H3.
The InChIKey is AULVDVFFHZBVDO-UHFFFAOYSA-N.
The canonical SMILES is CC1=CC(=C(C=C1N=C=O)N=C=O)Cl.
The CAS number is 15166-26-4.
The EC number is 624-283-0.
The XLogP3-AA value is 4.5.
Yes, it is a canonicalized compound.