carbonyl dichloride; 1,3-diisocyanato-2-methyl-benzene; 2-methylbenzene-1,3-diamine

Systemtic Name: carbonyl dichloride; 1,3-diisocyanato-2-methyl-benzene; 2-methylbenzene-1,3-diamine Openeye Name: carbonyl dichloride; 1,3-diisocyanato-2-methyl-benzene; 2-methylbenzene-1,3-diamine CAS Name: carbonic dichloride; 1,3-diisocyanato-2-methylbenzene; 2-methylbenzene-1,3-diamine IUPAC Name: carbonyl dichloride; 1,3-diisocyanato-2-methylbenzene; 2-methylbenzene-1,3-diamine Traditional Name: (3-amino-2-methyl-phenyl)amine; 1,3-diisocyanato-2-methyl-benzene; phosgene Formula: C17H16Cl2N4O3 MolecularWeight: 395.23994

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1N)N.CC1=C(C=CC=C1N=C=O)N=C=O.C(=O)(Cl)Cl

Isomeric SMILES

CC1=C(C=CC=C1N)N.CC1=C(C=CC=C1N=C=O)N=C=O.C(=O)(Cl)Cl

InChI

InChI=1S/C9H6N2O2.C7H10N2.CCl2O/c1-7-8(10-5-12)3-2-4-9(7)11-6-13;1-5-6(8)3-2-4-7(5)9;2-1(3)4/h2-4H,1H3;2-4H,8-9H2,1H3;