70796-13-3
1-(2-CHLORO-5-SULFOPHENYL)-3-METHYL-4-(2-METHOXYPHENYL)AZO-2-PYRAZOLIN-5-ONE
Name1-(2-CHLORO-5-SULFOPHENYL)-3-METHYL-4-(2-METHOXYPHENYL)AZO-2-PYRAZOLIN-5-ONE
FormulaC17 H15 Cl N4 O5 S
1Identification
【Name】
1-(2-CHLORO-5-SULFOPHENYL)-3-METHYL-4-(2-METHOXYPHENYL)AZO-2-PYRAZOLIN-5-ONE
【CAS】
【MDL】
MFCD11616536
【English Synonyms】
【Formula】
C17 H15 Cl N4 O5 S
【MolWeight】
422.848
【Inchi】
InChI=1S/C17H15ClN4O5S/c1-10-16(20-19-13-5-3-4-6-15(13)27-2)17(23)22(21-10)14-9-11(28(24,25)26)7-8-12(14)18/h3-9,16H,1-2H3,(H,24,25,26)/b20-19+
【InChIKey】
InChIKey=VHZNCHMYOXBBQZ-FMQUCBEESA-N
【SMILES】
CC1=NN(C(=O)C1/N=N/c2ccccc2OC)c3cc(ccc3Cl)S(=O)(=O)O
【MOL File】
1-(2-CHLORO-5-SULFOP….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:9
XLogP3:2.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
1-(2-CHLORO-5-SULFOPHENYL)-3-METHYL-4-(2-METHOXYPHENYL)AZO-2-PYRAZOLIN-5-ONE.cml