765309-98-6
3-(2-((4-ALLYL-2-METHOXYPHENOXY)AC)CARBOHYDRAZONOYL)PHENYL 2,4-DICHLOROBENZOATE
Name3-(2-((4-ALLYL-2-METHOXYPHENOXY)AC)CARBOHYDRAZONOYL)PHENYL 2,4-DICHLOROBENZOATE
1Identification
【Name】
3-(2-((4-ALLYL-2-METHOXYPHENOXY)AC)CARBOHYDRAZONOYL)PHENYL 2,4-DICHLOROBENZOATE
【CAS】
【MDL】
MFCD05153815
【English Synonyms】
【Formula】
C26 H22 Cl2 N2 O5
【MolWeight】
513.375
【Inchi】
InChI=1S/C26H22Cl2N2O5/c1-3-5-17-8-11-23(24(13-17)33-2)34-16-25(31)30-29-15-18-6-4-7-20(12-18)35-26(32)21-10-9-19(27)14-22(21)28/h3-4,6-15H,1,5,16H2,2H3,(H,30,31)/b29-15+
【InChIKey】
InChIKey=MTIMKIZRSLEPNK-WKULSOCRSA-N
【SMILES】
COc1cc(ccc1OCC(=O)N/N=C/c2cccc(c2)OC(=O)c3ccc(cc3Cl)Cl)CC=C
【MOL File】
3-(2-((4-ALLYL-2-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
3-(2-((4-ALLYL-2-METHOXYPHENOXY)AC)CARBOHYDRAZONOYL)PHENYL 2,4-DICHLOROBENZOATE.cml