12222-69-4 Purity
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Specification
The molecular formula of Disperse Blue 81 is C14H9BrN2O4.
The molecular weight of Disperse Blue 81 is 349.14 g/mol.
The IUPAC name of Disperse Blue 81 is 1,8-diamino-2-bromo-4,5-dihydroxyanthracene-9,10-dione.
The InChI of Disperse Blue 81 is InChI=1S/C14H9BrN2O4/c15-4-3-7(19)10-11(12(4)17)13(20)8-5(16)1-2-6(18)9(8)14(10)21/h1-3,18-19H,16-17H2.
The InChIKey of Disperse Blue 81 is SBSBBPZTTALABX-UHFFFAOYSA-N.
The canonical SMILES of Disperse Blue 81 is C1=CC(=C2C(=C1N)C(=O)C3=C(C2=O)C(=CC(=C3N)Br)O)O.
The CAS number of Disperse Blue 81 is 65235-63-4.
The XLogP3-AA value of Disperse Blue 81 is 2.6.
There are 4 hydrogen bond donor counts in Disperse Blue 81.
There are 6 hydrogen bond acceptor counts in Disperse Blue 81.