769157-12-2
3-(2-(4-((4-CHLOROBENZYL)OXY)BENZOYL)CARBOHYDRAZONOYL)PHENYL 4-METHOXYBENZOATE
Name3-(2-(4-((4-CHLOROBENZYL)OXY)BENZOYL)CARBOHYDRAZONOYL)PHENYL 4-METHOXYBENZOATE
1Identification
【Name】
3-(2-(4-((4-CHLOROBENZYL)OXY)BENZOYL)CARBOHYDRAZONOYL)PHENYL 4-METHOXYBENZOATE
【CAS】
【MDL】
MFCD05154282
【English Synonyms】
【Formula】
C29 H23 Cl N2 O5
【MolWeight】
514.963
【Inchi】
InChI=1S/C29H23ClN2O5/c1-35-25-13-9-23(10-14-25)29(34)37-27-4-2-3-21(17-27)18-31-32-28(33)22-7-15-26(16-8-22)36-19-20-5-11-24(30)12-6-20/h2-18H,19H2,1H3,(H,32,33)/b31-18+
【InChIKey】
InChIKey=LEKZHKAWQSMXOR-FDAWAROLSA-N
【SMILES】
COc1ccc(cc1)C(=O)Oc2cccc(c2)/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:7
XLogP3:6.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
3-(2-(4-((4-CHLOROBENZYL)OXY)BENZOYL)CARBOHYDRAZONOYL)PHENYL 4-METHOXYBENZOATE.cml