765910-14-3
4-BROMO-2-(2-((4-METHOXYPHENOXY)ACETYL)CARBOHYDRAZONOYL)PHENYL 2-CHLOROBENZOATE
Name4-BROMO-2-(2-((4-METHOXYPHENOXY)ACETYL)CARBOHYDRAZONOYL)PHENYL 2-CHLOROBENZOATE
FormulaC23 H18 Br Cl N2 O5
1Identification
【Name】
4-BROMO-2-(2-((4-METHOXYPHENOXY)ACETYL)CARBOHYDRAZONOYL)PHENYL 2-CHLOROBENZOATE
【CAS】
【MDL】
MFCD05153792
【English Synonyms】
【Formula】
C23 H18 Br Cl N2 O5
【MolWeight】
517.761
【Inchi】
InChI=1S/C23H18BrClN2O5/c1-30-17-7-9-18(10-8-17)31-14-22(28)27-26-13-15-12-16(24)6-11-21(15)32-23(29)19-4-2-3-5-20(19)25/h2-13H,14H2,1H3,(H,27,28)/b26-13+
【InChIKey】
InChIKey=BMUJRWCHDKXFFC-LGJNPRDNSA-N
【SMILES】
COc1ccc(cc1)OCC(=O)N/N=C/c2cc(ccc2OC(=O)c3ccccc3Cl)Br
【MOL File】
4-BROMO-2-(2-((4-MET….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:7
XLogP3:5.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
4-BROMO-2-(2-((4-METHOXYPHENOXY)ACETYL)CARBOHYDRAZONOYL)PHENYL 2-CHLOROBENZOATE.cml