769152-13-8
2-(2-((3-CHLOROANILINO)CARBOTHIOYL)CARBOHYDRAZONOYL)PHENYL 4-CHLOROBENZOATE
Name2-(2-((3-CHLOROANILINO)CARBOTHIOYL)CARBOHYDRAZONOYL)PHENYL 4-CHLOROBENZOATE
FormulaC21 H15 Cl2 N3 O2 S
1Identification
【Name】
2-(2-((3-CHLOROANILINO)CARBOTHIOYL)CARBOHYDRAZONOYL)PHENYL 4-CHLOROBENZOATE
【CAS】
【MDL】
MFCD05153583
【English Synonyms】
【Formula】
C21 H15 Cl2 N3 O2 S
【MolWeight】
444.341
【Inchi】
InChI=1S/C21H15Cl2N3O2S/c22-16-10-8-14(9-11-16)20(27)28-19-7-2-1-4-15(19)13-24-26-21(29)25-18-6-3-5-17(23)12-18/h1-13H,(H2,25,26,29)/b24-13+
【InChIKey】
InChIKey=BYIUXRHCOXWJGU-ZMOGYAJESA-N
【SMILES】
c1ccc(c(c1)/C=N/NC(=S)Nc2cccc(c2)Cl)OC(=O)c3ccc(cc3)Cl
【MOL File】
2-(2-((3-CHLOROANILI….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:2
H bond acceptor:5
XLogP3:6.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
2-(2-((3-CHLOROANILINO)CARBOTHIOYL)CARBOHYDRAZONOYL)PHENYL 4-CHLOROBENZOATE.cml