769152-44-5
4-BR-2-(2-(4-((4-CHLOROBENZYL)OXY)BENZOYL)CARBOHYDRAZONOYL)PH 4-METHOXYBENZOATE
Name4-BR-2-(2-(4-((4-CHLOROBENZYL)OXY)BENZOYL)CARBOHYDRAZONOYL)PH 4-METHOXYBENZOATE
FormulaC29 H22 Br Cl N2 O5
1Identification
【Name】
4-BR-2-(2-(4-((4-CHLOROBENZYL)OXY)BENZOYL)CARBOHYDRAZONOYL)PH 4-METHOXYBENZOATE
【CAS】
【MDL】
MFCD05153544
【English Synonyms】
【Formula】
C29 H22 Br Cl N2 O5
【MolWeight】
593.859
【Inchi】
InChI=1S/C29H22BrClN2O5/c1-36-25-11-6-21(7-12-25)29(35)38-27-15-8-23(30)16-22(27)17-32-33-28(34)20-4-13-26(14-5-20)37-18-19-2-9-24(31)10-3-19/h2-17H,18H2,1H3,(H,33,34)/b32-17+
【InChIKey】
InChIKey=VUDAHHMVPCBJTJ-VTNSRFBWSA-N
【SMILES】
COc1ccc(cc1)C(=O)Oc2ccc(cc2/C=N/NC(=O)c3ccc(cc3)OCc4ccc(cc4)Cl)Br
【MOL File】
4-BR-2-(2-(4-((4-CHL….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:7
XLogP3:7.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
4-BR-2-(2-(4-((4-CHLOROBENZYL)OXY)BENZOYL)CARBOHYDRAZONOYL)PH 4-METHOXYBENZOATE.cml