769151-68-0
2-(2-(ANILINOCARBOTHIOYL)CARBOHYDRAZONOYL)-4-BROMOPHENYL 2-CHLOROBENZOATE
Name2-(2-(ANILINOCARBOTHIOYL)CARBOHYDRAZONOYL)-4-BROMOPHENYL 2-CHLOROBENZOATE
FormulaC21 H15 Br Cl N3 O2 S
1Identification
【Name】
2-(2-(ANILINOCARBOTHIOYL)CARBOHYDRAZONOYL)-4-BROMOPHENYL 2-CHLOROBENZOATE
【CAS】
【MDL】
MFCD05153647
【English Synonyms】
【Formula】
C21 H15 Br Cl N3 O2 S
【MolWeight】
488.792
【Inchi】
InChI=1S/C21H15BrClN3O2S/c22-15-10-11-19(28-20(27)17-8-4-5-9-18(17)23)14(12-15)13-24-26-21(29)25-16-6-2-1-3-7-16/h1-13H,(H2,25,26,29)/b24-13+
【InChIKey】
InChIKey=IPSUUXHCIATRDO-ZMOGYAJESA-N
【SMILES】
c1ccc(cc1)NC(=S)N/N=C/c2cc(ccc2OC(=O)c3ccccc3Cl)Br
【MOL File】
2-(2-(ANILINOCARBOTH….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-(ANILINOCARBOTHIOYL)CARBOHYDRAZONOYL)-4-BROMOPHENYL 2-CHLOROBENZOATE.cml