769152-26-3
4-BR-2-(2-(4-((4-METHYLBENZYL)OXY)BENZOYL)CARBOHYDRAZONOYL)PH 4-CHLOROBENZOATE
Name4-BR-2-(2-(4-((4-METHYLBENZYL)OXY)BENZOYL)CARBOHYDRAZONOYL)PH 4-CHLOROBENZOATE
pro_formulaC29 H22 Br Cl N2 O4
1Identification
【Name】
4-BR-2-(2-(4-((4-METHYLBENZYL)OXY)BENZOYL)CARBOHYDRAZONOYL)PH 4-CHLOROBENZOATE
【CAS】
【MDL】
MFCD05153564
【中文同义词】
【EnglishSynonyms】
【pro_formula】
C29 H22 Br Cl N2 O4
【pro_molWeight】
577.86
【Inchi】
InChI=1S/C29H22BrClN2O4/c1-19-2-4-20(5-3-19)18-36-26-13-8-21(9-14-26)28(34)33-32-17-23-16-24(30)10-15-27(23)37-29(35)22-6-11-25(31)12-7-22/h2-17H,18H2,1H3,(H,33,34)/b32-17+
【InChIKey】
InChIKey=CGHRDZMQUSHCGO-VTNSRFBWSA-N
【SMILES】
Cc1ccc(cc1)COc2ccc(cc2)C(=O)N/N=C/c3cc(ccc3OC(=O)c4ccc(cc4)Cl)Br
【MOL File】
4-BR-2-(2-(4-((4-MET….mol
2ChemicalProperties
【ComputedProperties】
pro_donors:1
pro_acceptors:6
XLogP3:7.0
Bulk/Fine:F
3MaterialMSDS
4CMLFile
4-BR-2-(2-(4-((4-METHYLBENZYL)OXY)BENZOYL)CARBOHYDRAZONOYL)PH 4-CHLOROBENZOATE.cml