72479-28-8
SODIUM 4-CHLORO-3-[4-[[5-CHLORO-2-(2-CHLOROPHENOXY)PHENYL]AZO]-4,5-DIHYDRO-3-METHYL-5-OXO-1H-PYRAZOL-1-YL]BENZENESULPHONATE
Name
SODIUM 4-CHLORO-3-[4-[[5-CHLORO-2-(2-CHLOROPHENOXY)PHENYL]AZO]-4,5-DIHYDRO-3-METHYL-5-OXO-1H-PYRAZOL-1-YL]BENZENESULPHONATE
Formula
C22 H14 Cl3 N4 O5 S . Na
MolWeight
575.791
1Identification
【Name】
SODIUM 4-CHLORO-3-[4-[[5-CHLORO-2-(2-CHLOROPHENOXY)PHENYL]AZO]-4,5-DIHYDRO-3-METHYL-5-OXO-1H-PYRAZOL-1-YL]BENZENESULPHONATE
【CAS】
【MDL】
MFCD23160577
【English Synonyms】
【Formula】
C22 H14 Cl3 N4 O5 S . Na
【MolWeight】
575.791
【Inchi】
InChI=1S/C22H15Cl3N4O5S.Na/c1-12-21(22(30)29(28-12)18-11-14(35(31,32)33)7-8-15(18)24)27-26-17-10-13(23)6-9-20(17)34-19-5-3-2-4-16(19)25;/h2-11,21H,1H3,(H,31,32,33);/q;+1/p-1/b27-26+;
【InChIKey】
InChIKey=OCJDFNKUOCKZCE-JGUILPGDSA-M
【SMILES】
CC1=NN(C(=O)C1/N=N/c2cc(ccc2Oc3ccccc3Cl)Cl)c4cc(ccc4Cl)S(=O)(=O)[O-].[Na+]
【MOL File】
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:9
XLogP3:4.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
SODIUM 4-CHLORO-3-[4-[[5-CHLORO-2-(2-CHLOROPHENOXY)PHENYL]AZO]-4,5-DIHYDRO-3-METHYL-5-OXO-1H-PYRAZOL-1-YL]BENZENESULPHONATE.cml
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