25910-57-0 Purity
96%
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Specification
The molecular formula of Disperse Red 82 is C21H21N5O6.
The molecular weight of Disperse Red 82 is 439.4 g/mol.
The IUPAC name of Disperse Red 82 is 2-[N-(2-acetyloxyethyl)-4-[(2-cyano-4-nitrophenyl)diazenyl]anilino]ethyl acetate.
The InChI of Disperse Red 82 is InChI=1S/C21H21N5O6/c1-15(27)31-11-9-25(10-12-32-16(2)28)19-5-3-18(4-6-19)23-24-21-8-7-20(26(29)30)13-17(21)14-22/h3-8,13H,9-12H2,1-2H3.
The InChIKey of Disperse Red 82 is GRMDKKJYMUDEJO-UHFFFAOYSA-N.
The canonical SMILES of Disperse Red 82 is CC(=O)OCCN(CCOC(=O)C)C1=CC=C(C=C1)N=NC2=C(C=C(C=C2)[N+](=O)[O-])C#N.
The CAS number of Disperse Red 82 is 30124-94-8.
The XLogP3-AA value of Disperse Red 82 is 3.1.
Disperse Red 82 has 10 hydrogen bond acceptor counts.
The topological polar surface area of Disperse Red 82 is 150 Å2.