765290-10-6
2-(2-((4-BROMOPHENOXY)ACETYL)CARBOHYDRAZONOYL)PHENYL 4-CHLOROBENZOATE
Name2-(2-((4-BROMOPHENOXY)ACETYL)CARBOHYDRAZONOYL)PHENYL 4-CHLOROBENZOATE
FormulaC22 H16 Br Cl N2 O4
1Identification
【Name】
2-(2-((4-BROMOPHENOXY)ACETYL)CARBOHYDRAZONOYL)PHENYL 4-CHLOROBENZOATE
【CAS】
【MDL】
MFCD06200054
【English Synonyms】
【Formula】
C22 H16 Br Cl N2 O4
【MolWeight】
487.735
【Inchi】
InChI=1S/C22H16BrClN2O4/c23-17-7-11-19(12-8-17)29-14-21(27)26-25-13-16-3-1-2-4-20(16)30-22(28)15-5-9-18(24)10-6-15/h1-13H,14H2,(H,26,27)/b25-13+
【InChIKey】
InChIKey=ZNWAOZFSAWNARH-DHRITJCHSA-N
【SMILES】
c1ccc(c(c1)/C=N/NC(=O)COc2ccc(cc2)Br)OC(=O)c3ccc(cc3)Cl
【MOL File】
2-(2-((4-BROMOPHENOX….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:6
XLogP3:5.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
2-(2-((4-BROMOPHENOXY)ACETYL)CARBOHYDRAZONOYL)PHENYL 4-CHLOROBENZOATE.cml