50326-33-5
PIGMENT RED 243
Name
PIGMENT RED 243
Formula
2 C25 H19 Cl N3 O6 S . Ba
MolWeight
1187.25
1Identification
【Name】
PIGMENT RED 243
【CAS】
【MDL】
MFCD13195588
【English Synonyms】
【Formula】
2 C25 H19 Cl N3 O6 S . Ba
【MolWeight】
1187.25
【Inchi】
InChI=1S/2C25H20ClN3O6S.Ba/c2*1-14-11-22(36(32,33)34)20(13-18(14)26)28-29-23-16-8-4-3-7-15(16)12-17(24(23)30)25(31)27-19-9-5-6-10-21(19)35-2;/h2*3-13,30H,1-2H3,(H,27,31)(H,32,33,34);/q;;+2/p-2/b2*29-28+;
【InChIKey】
InChIKey=XWGSKVKPXMKRQI-PJGVNEGMSA-L
【SMILES】
Cc1cc(c(cc1Cl)/N=N/c2c3ccccc3cc(c2O)C(=O)Nc4ccccc4OC)S(=O)(=O)[O-].Cc1cc(c(cc1Cl)/N=N/c2c3ccccc3cc(c2O)C(=O)Nc4ccccc4OC)S(=O)(=O)[O-].[Ba+2]
【MOL File】
2Chemical and Physical Properties
【Computed Properties】
H bond donor:2
H bond acceptor:9
XLogP3:4.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
PIGMENT RED 243.cml
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