765278-30-6
4-(2-((3-CHLOROPHENOXY)ACETYL)CARBOHYDRAZONOYL)PHENYL 2-BROMOBENZOATE
Name4-(2-((3-CHLOROPHENOXY)ACETYL)CARBOHYDRAZONOYL)PHENYL 2-BROMOBENZOATE
FormulaC22 H16 Br Cl N2 O4
1Identification
【Name】
4-(2-((3-CHLOROPHENOXY)ACETYL)CARBOHYDRAZONOYL)PHENYL 2-BROMOBENZOATE
【CAS】
【MDL】
MFCD00641931
【English Synonyms】
【Formula】
C22 H16 Br Cl N2 O4
【MolWeight】
487.735
【Inchi】
InChI=1S/C22H16BrClN2O4/c23-20-7-2-1-6-19(20)22(28)30-17-10-8-15(9-11-17)13-25-26-21(27)14-29-18-5-3-4-16(24)12-18/h1-13H,14H2,(H,26,27)/b25-13+
【InChIKey】
InChIKey=YNEJTAVXXZLRSF-DHRITJCHSA-N
【SMILES】
c1ccc(c(c1)C(=O)Oc2ccc(cc2)/C=N/NC(=O)COc3cccc(c3)Cl)Br
【MOL File】
4-(2-((3-CHLOROPHENO….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
4-(2-((3-CHLOROPHENOXY)ACETYL)CARBOHYDRAZONOYL)PHENYL 2-BROMOBENZOATE.cml