769152-67-2
4-BR-2-(2-(2-((4-CHLOROBENZYL)OXY)BENZOYL)CARBOHYDRAZONOYL)PH 4-METHOXYBENZOATE
Name4-BR-2-(2-(2-((4-CHLOROBENZYL)OXY)BENZOYL)CARBOHYDRAZONOYL)PH 4-METHOXYBENZOATE
FormulaC29 H22 Br Cl N2 O5
1Identification
【Name】
4-BR-2-(2-(2-((4-CHLOROBENZYL)OXY)BENZOYL)CARBOHYDRAZONOYL)PH 4-METHOXYBENZOATE
【CAS】
【MDL】
MFCD05153514
【English Synonyms】
【Formula】
C29 H22 Br Cl N2 O5
【MolWeight】
593.859
【Inchi】
InChI=1S/C29H22BrClN2O5/c1-36-24-13-8-20(9-14-24)29(35)38-26-15-10-22(30)16-21(26)17-32-33-28(34)25-4-2-3-5-27(25)37-18-19-6-11-23(31)12-7-19/h2-17H,18H2,1H3,(H,33,34)/b32-17+
【InChIKey】
InChIKey=FCKMRMIMGCLEJL-VTNSRFBWSA-N
【SMILES】
COc1ccc(cc1)C(=O)Oc2ccc(cc2/C=N/NC(=O)c3ccccc3OCc4ccc(cc4)Cl)Br
【MOL File】
4-BR-2-(2-(2-((4-CHL….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
4-BR-2-(2-(2-((4-CHLOROBENZYL)OXY)BENZOYL)CARBOHYDRAZONOYL)PH 4-METHOXYBENZOATE.cml