16586-42-8 Purity
96%
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Specification
The molecular formula of Disperse Blue 77 is C20H12N2O6.
The molecular weight of Disperse Blue 77 is 376.3 g/mol.
The IUPAC name of Disperse Blue 77 is 1-anilino-4,5-dihydroxy-8-nitroanthracene-9,10-dione.
The InChI of Disperse Blue 77 is InChI=1S/C20H12N2O6/c23-13-8-6-11(21-10-4-2-1-3-5-10)15-17(13)20(26)18-14(24)9-7-12(22(27)28)16(18)19(15)25/h1-9,21,23-24H.
The InChIKey of Disperse Blue 77 is DYALWCKAJBVSBZ-UHFFFAOYSA-N.
The canonical SMILES of Disperse Blue 77 is C1=CC=C(C=C1)NC2=C3C(=C(C=C2)O)C(=O)C4=C(C=CC(=C4C3=O)[N+](=O)[O-])O.
The CAS number of Disperse Blue 77 is 20241-76-3.
The XLogP3-AA value of Disperse Blue 77 is 4.6.
Disperse Blue 77 has 3 hydrogen bond donor counts.
Disperse Blue 77 has 7 hydrogen bond acceptor counts.