51868-46-3
DISPERSE BLUE 291G
Name
DISPERSE BLUE 291G
Formula
C21 H21 Br N6 O6
MolWeight
533.337
1Identification
【Name】
DISPERSE BLUE 291G
【CAS】
【MDL】
MFCD09970273
【English Synonyms】
【Formula】
C21 H21 Br N6 O6
【MolWeight】
533.337
【Inchi】
InChI=1S/C21H21BrN6O6/c1-5-7-26(8-6-2)18-11-16(23-13(3)29)17(12-20(18)34-4)24-25-21-15(22)9-14(27(30)31)10-19(21)28(32)33/h5-6,9-12H,1-2,7-8H2,3-4H3,(H,23,29)/b25-24+
【InChIKey】
InChIKey=WXDXQSMFRITTEJ-OCOZRVBESA-N
【SMILES】
CC(=O)Nc1cc(c(cc1/N=N/c2c(cc(cc2Br)[N+](=O)[O-])[N+](=O)[O-])OC)N(CC=C)CC=C
【MOL File】
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:12
XLogP3:6.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
DISPERSE BLUE 291G.cml
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