769152-27-4
4-BR-2-(2-((3-CHLOROANILINO)CARBOTHIOYL)CARBOHYDRAZONOYL)PHENYL 2-CHLOROBENZOATE
Name4-BR-2-(2-((3-CHLOROANILINO)CARBOTHIOYL)CARBOHYDRAZONOYL)PHENYL 2-CHLOROBENZOATE
FormulaC21 H14 Br Cl2 N3 O2 S
1Identification
【Name】
4-BR-2-(2-((3-CHLOROANILINO)CARBOTHIOYL)CARBOHYDRAZONOYL)PHENYL 2-CHLOROBENZOATE
【CAS】
【MDL】
MFCD05153563
【English Synonyms】
【Formula】
C21 H14 Br Cl2 N3 O2 S
【MolWeight】
523.237
【Inchi】
InChI=1S/C21H14BrCl2N3O2S/c22-14-8-9-19(29-20(28)17-6-1-2-7-18(17)24)13(10-14)12-25-27-21(30)26-16-5-3-4-15(23)11-16/h1-12H,(H2,26,27,30)/b25-12+
【InChIKey】
InChIKey=IFUXAHXALAWNJA-BRJLIKDPSA-N
【SMILES】
c1ccc(c(c1)C(=O)Oc2ccc(cc2/C=N/NC(=S)Nc3cccc(c3)Cl)Br)Cl
【MOL File】
4-BR-2-(2-((3-CHLORO….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:2
H bond acceptor:5
XLogP3:7.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
4-BR-2-(2-((3-CHLOROANILINO)CARBOTHIOYL)CARBOHYDRAZONOYL)PHENYL 2-CHLOROBENZOATE.cml