769147-87-7
2-(2-((4-ALLYL-2-METHOXYPHENOXY)AC)CARBOHYDRAZONOYL)-4-BR-PH 2-CHLOROBENZOATE
Name2-(2-((4-ALLYL-2-METHOXYPHENOXY)AC)CARBOHYDRAZONOYL)-4-BR-PH 2-CHLOROBENZOATE
FormulaC26 H22 Br Cl N2 O5
1Identification
【Name】
2-(2-((4-ALLYL-2-METHOXYPHENOXY)AC)CARBOHYDRAZONOYL)-4-BR-PH 2-CHLOROBENZOATE
【CAS】
【MDL】
MFCD05154235
【English Synonyms】
【Formula】
C26 H22 Br Cl N2 O5
【MolWeight】
557.826
【Inchi】
InChI=1S/C26H22BrClN2O5/c1-3-6-17-9-11-23(24(13-17)33-2)34-16-25(31)30-29-15-18-14-19(27)10-12-22(18)35-26(32)20-7-4-5-8-21(20)28/h3-5,7-15H,1,6,16H2,2H3,(H,30,31)/b29-15+
【InChIKey】
InChIKey=HVRAUXHQDHVNIU-WKULSOCRSA-N
【SMILES】
COc1cc(ccc1OCC(=O)N/N=C/c2cc(ccc2OC(=O)c3ccccc3Cl)Br)CC=C
【MOL File】
2-(2-((4-ALLYL-2-MET….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
2-(2-((4-ALLYL-2-METHOXYPHENOXY)AC)CARBOHYDRAZONOYL)-4-BR-PH 2-CHLOROBENZOATE.cml