877-95-2 Purity
98.0%
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Specification
The molecular formula of C.I. Disperse Blue A press cake is C16H20N6O6S.
The molecular weight of C.I. Disperse Blue A press cake is 424.4 g/mol.
C.I. Disperse Blue A press cake was created on September 15, 2017 in PubChem.
The IUPAC name of C.I. Disperse Blue A press cake is N-[5-[bis(2-hydroxyethyl)amino]-4-methoxy-2-[(5-nitro-1,3-thiazol-2-yl)diazenyl]phenyl]acetamide.
C.I. Disperse Blue A press cake has 3 hydrogen bond donor counts.
The Canonical SMILES of C.I. Disperse Blue A press cake is CC(=O)NC1=CC(=C(C=C1N=NC2=NC=C(S2)[N+](=O)[O-])OC)N(CCO)CCO.
C.I. Disperse Blue A press cake has 11 hydrogen bond acceptor counts.
The InChIKey of C.I. Disperse Blue A press cake is YLGIYFJMKKZUAO-UHFFFAOYSA-N.
C.I. Disperse Blue A press cake has 9 rotatable bond counts.
Yes, the compound is canonicalized for C.I. Disperse Blue A press cake.