769153-95-9
2-METHOXY-4-(2-(3-TOLUIDINOCARBOTHIOYL)CARBOHYDRAZONOYL)PHENYL 2-CHLOROBENZOATE
Name2-METHOXY-4-(2-(3-TOLUIDINOCARBOTHIOYL)CARBOHYDRAZONOYL)PHENYL 2-CHLOROBENZOATE
FormulaC23 H20 Cl N3 O3 S
1Identification
【Name】
2-METHOXY-4-(2-(3-TOLUIDINOCARBOTHIOYL)CARBOHYDRAZONOYL)PHENYL 2-CHLOROBENZOATE
【CAS】
【MDL】
MFCD05153366
【English Synonyms】
【Formula】
C23 H20 Cl N3 O3 S
【MolWeight】
453.948
【Inchi】
InChI=1S/C23H20ClN3O3S/c1-15-6-5-7-17(12-15)26-23(31)27-25-14-16-10-11-20(21(13-16)29-2)30-22(28)18-8-3-4-9-19(18)24/h3-14H,1-2H3,(H2,26,27,31)/b25-14+
【InChIKey】
InChIKey=YFCRSZHZPRSIBT-AFUMVMLFSA-N
【SMILES】
Cc1cccc(c1)NC(=S)N/N=C/c2ccc(c(c2)OC)OC(=O)c3ccccc3Cl
【MOL File】
2-METHOXY-4-(2-(3-TO….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:2
H bond acceptor:6
XLogP3:6.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
2-METHOXY-4-(2-(3-TOLUIDINOCARBOTHIOYL)CARBOHYDRAZONOYL)PHENYL 2-CHLOROBENZOATE.cml