77538-14-8 Purity
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Specification
The molecular formula of Disperse Red 97 is C17H16N6O5.
The structure of Disperse Red 97 was created on 2005-08-08 and modified on 2023-12-23.
The molecular weight of Disperse Red 97 is 384.3 g/mol.
The IUPAC Name of Disperse Red 97 is 3-[4-[(2,4-dinitrophenyl)diazenyl]-N-(2-hydroxyethyl)anilino]propanenitrile.
The Canonical SMILES of Disperse Red 97 is C1=CC(=CC=C1N=NC2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-])N(CCC#N)CCO.
The CAS number of Disperse Red 97 is 81367-85-3.
The XLogP3-AA value of Disperse Red 97 is 2.5.
There are 9 hydrogen bond acceptor counts in Disperse Red 97.
The heavy atom count of Disperse Red 97 is 28.
Yes, the compound of Disperse Red 97 is canonicalized.