769153-57-3
3-(2-(4-((4-CHLOROBENZYL)OXY)BENZOYL)CARBOHYDRAZONOYL)PH 2,4-DICHLOROBENZOATE
Name3-(2-(4-((4-CHLOROBENZYL)OXY)BENZOYL)CARBOHYDRAZONOYL)PH 2,4-DICHLOROBENZOATE
1Identification
【Name】
3-(2-(4-((4-CHLOROBENZYL)OXY)BENZOYL)CARBOHYDRAZONOYL)PH 2,4-DICHLOROBENZOATE
【CAS】
【MDL】
MFCD05153406
【English Synonyms】
【Formula】
C28 H19 Cl3 N2 O4
【MolWeight】
553.827
【Inchi】
InChI=1S/C28H19Cl3N2O4/c29-21-8-4-18(5-9-21)17-36-23-11-6-20(7-12-23)27(34)33-32-16-19-2-1-3-24(14-19)37-28(35)25-13-10-22(30)15-26(25)31/h1-16H,17H2,(H,33,34)/b32-16+
【InChIKey】
InChIKey=IYFSLAGKNYBQBU-KPGMTVGESA-N
【SMILES】
c1cc(cc(c1)OC(=O)c2ccc(cc2Cl)Cl)/C=N/NC(=O)c3ccc(cc3)OCc4ccc(cc4)Cl
【MOL File】
3-(2-(4-((4-CHLOROBE….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:6
XLogP3:7.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
3-(2-(4-((4-CHLOROBENZYL)OXY)BENZOYL)CARBOHYDRAZONOYL)PH 2,4-DICHLOROBENZOATE.cml