12223-27-7 Purity
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Specification
The molecular formula of Disperse Red 65 is C18H18ClN5O2.
The molecular weight of Disperse Red 65 is 371.8 g/mol.
The IUPAC name of Disperse Red 65 is 3-[4-[(2-chloro-4-nitrophenyl)diazenyl]-N-ethyl-3-methylanilino]propanenitrile.
The InChI of Disperse Red 65 is InChI=1S/C18H18ClN5O2/c1-3-23(10-4-9-20)14-5-7-17(13(2)11-14)21-22-18-8-6-15(24(25)26)12-16(18)19/h5-8,11-12H,3-4,10H2,1-2H3.
The InChIKey of Disperse Red 65 is BHOOSPBGGKYHCM-UHFFFAOYSA-N.
The Canonical SMILES of Disperse Red 65 is CCN(CCC#N)C1=CC(=C(C=C1)N=NC2=C(C=C(C=C2)[N+](=O)[O-])Cl)C.
The CAS number of Disperse Red 65 is 16586-43-9.
The XLogP3-AA value of Disperse Red 65 is 4.7.
Disperse Red 65 has 6 hydrogen bond acceptor counts.
Disperse Red 65 has 6 rotatable bond counts.