769151-15-7
4-BROMO-2-(2-((4-BUTOXYPHENOXY)ACETYL)CARBOHYDRAZONOYL)PHENYL 2-CHLOROBENZOATE
Name4-BROMO-2-(2-((4-BUTOXYPHENOXY)ACETYL)CARBOHYDRAZONOYL)PHENYL 2-CHLOROBENZOATE
FormulaC26 H24 Br Cl N2 O5
1Identification
【Name】
4-BROMO-2-(2-((4-BUTOXYPHENOXY)ACETYL)CARBOHYDRAZONOYL)PHENYL 2-CHLOROBENZOATE
【CAS】
【MDL】
MFCD05153844
【English Synonyms】
【Formula】
C26 H24 Br Cl N2 O5
【MolWeight】
559.842
【Inchi】
InChI=1S/C26H24BrClN2O5/c1-2-3-14-33-20-9-11-21(12-10-20)34-17-25(31)30-29-16-18-15-19(27)8-13-24(18)35-26(32)22-6-4-5-7-23(22)28/h4-13,15-16H,2-3,14,17H2,1H3,(H,30,31)/b29-16+
【InChIKey】
InChIKey=INRAIPSZVJFZCC-MUFRIFMGSA-N
【SMILES】
CCCCOc1ccc(cc1)OCC(=O)N/N=C/c2cc(ccc2OC(=O)c3ccccc3Cl)Br
【MOL File】
4-BROMO-2-(2-((4-BUT….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:7
XLogP3:6.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
4-BROMO-2-(2-((4-BUTOXYPHENOXY)ACETYL)CARBOHYDRAZONOYL)PHENYL 2-CHLOROBENZOATE.cml