56548-64-2
DISPERSE BLUE 291
Name
DISPERSE BLUE 291
Formula
C19 H21 Br N6 O6
MolWeight
509.315
1Identification
【Name】
DISPERSE BLUE 291
【CAS】
【MDL】
MFCD07363860
【English Synonyms】
【Formula】
C19 H21 Br N6 O6
【MolWeight】
509.315
【Inchi】
InChI=1S/C19H21BrN6O6/c1-5-24(6-2)16-9-14(21-11(3)27)15(10-18(16)32-4)22-23-19-13(20)7-12(25(28)29)8-17(19)26(30)31/h7-10H,5-6H2,1-4H3,(H,21,27)/b23-22+
【InChIKey】
InChIKey=QRKGKRSGMAWUMO-GHVJWSGMSA-N
【SMILES】
CCN(CC)c1cc(c(cc1OC)/N=N/c2c(cc(cc2Br)[N+](=O)[O-])[N+](=O)[O-])NC(=O)C
【MOL File】
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:12
XLogP3:5.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
DISPERSE BLUE 291.cml
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