769151-76-0
4-BR-2-(2-(((3,4-DICHLOROBENZOYL)AMINO)AC)CARBOHYDRAZONOYL)PH 2-CHLOROBENZOATE
Name4-BR-2-(2-(((3,4-DICHLOROBENZOYL)AMINO)AC)CARBOHYDRAZONOYL)PH 2-CHLOROBENZOATE
FormulaC23 H15 Br Cl3 N3 O4
1Identification
【Name】
4-BR-2-(2-(((3,4-DICHLOROBENZOYL)AMINO)AC)CARBOHYDRAZONOYL)PH 2-CHLOROBENZOATE
【CAS】
【MDL】
MFCD05153637
【English Synonyms】
【Formula】
C23 H15 Br Cl3 N3 O4
【MolWeight】
583.651
【Inchi】
InChI=1S/C23H15BrCl3N3O4/c24-15-6-8-20(34-23(33)16-3-1-2-4-17(16)25)14(9-15)11-29-30-21(31)12-28-22(32)13-5-7-18(26)19(27)10-13/h1-11H,12H2,(H,28,32)(H,30,31)/b29-11+
【InChIKey】
InChIKey=SYOMRCMHPOTSMU-VPUKRXIYSA-N
【SMILES】
c1ccc(c(c1)C(=O)Oc2ccc(cc2/C=N/NC(=O)CNC(=O)c3ccc(c(c3)Cl)Cl)Br)Cl
【MOL File】
4-BR-2-(2-(((3,4-DIC….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:2
H bond acceptor:7
XLogP3:5.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
4-BR-2-(2-(((3,4-DICHLOROBENZOYL)AMINO)AC)CARBOHYDRAZONOYL)PH 2-CHLOROBENZOATE.cml