26377-33-3
DISPERSE BLUE 301
Name
DISPERSE BLUE 301
Formula
C21 H25 Br N6 O8
MolWeight
569.367
1Identification
【Name】
DISPERSE BLUE 301
【CAS】
【MDL】
MFCD03700486
【English Synonyms】
【Formula】
C21 H25 Br N6 O8
【MolWeight】
569.367
【Inchi】
InChI=1S/C21H25BrN6O8/c1-13(29)23-16-11-18(26(5-7-34-2)6-8-35-3)20(36-4)12-17(16)24-25-21-15(22)9-14(27(30)31)10-19(21)28(32)33/h9-12H,5-8H2,1-4H3,(H,23,29)/b25-24+
【InChIKey】
InChIKey=YTGJTRYIRSPFPM-OCOZRVBESA-N
【SMILES】
CC(=O)Nc1cc(c(cc1/N=N/c2c(cc(cc2Br)[N+](=O)[O-])[N+](=O)[O-])OC)N(CCOC)CCOC
【MOL File】
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:14
XLogP3:4.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
DISPERSE BLUE 301.cml
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