12223-35-7 Purity
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Specification
The molecular formula of Disperse Red 72 is C20H18N6O4.
The molecular weight of Disperse Red 72 is 406.4 g/mol.
Disperse Red 72 was created on December 10, 2015.
Disperse Red 72 was last modified on December 23, 2023.
The IUPAC name of Disperse Red 72 is 2-[N-(2-cyanoethyl)-4-[(2-cyano-3-nitrophenyl)diazenyl]anilino]ethyl acetate.
The InChI of Disperse Red 72 is InChI=1S/C20H18N6O4/c1-15(27)30-13-12-25(11-3-10-21)17-8-6-16(7-9-17)23-24-19-4-2-5-20(26(28)29)18(19)14-22/h2,4-9H,3,11-13H2,1H3.
The InChIKey of Disperse Red 72 is KJMUBSSUUPGGDY-UHFFFAOYSA-N.
The canonical SMILES of Disperse Red 72 is CC(=O)OCCN(CCC#N)C1=CC=C(C=C1)N=NC2=C(C(=CC=C2)[N+](=O)[O-])C#N.
The XLogP3-AA value of Disperse Red 72 is 2.9.
The hydrogen bond acceptor count of Disperse Red 72 is 9.