769152-15-0
4-BR-2-(2-(4-((4-CHLOROBENZYL)OXY)BENZOYL)CARBOHYDRAZONOYL)PH 2-METHYLBENZOATE
Name4-BR-2-(2-(4-((4-CHLOROBENZYL)OXY)BENZOYL)CARBOHYDRAZONOYL)PH 2-METHYLBENZOATE
pro_formulaC29 H22 Br Cl N2 O4
1Identification
【Name】
4-BR-2-(2-(4-((4-CHLOROBENZYL)OXY)BENZOYL)CARBOHYDRAZONOYL)PH 2-METHYLBENZOATE
【CAS】
【MDL】
MFCD05153579
【中文同义词】
【EnglishSynonyms】
【pro_formula】
C29 H22 Br Cl N2 O4
【pro_molWeight】
577.86
【Inchi】
InChI=1S/C29H22BrClN2O4/c1-19-4-2-3-5-26(19)29(35)37-27-15-10-23(30)16-22(27)17-32-33-28(34)21-8-13-25(14-9-21)36-18-20-6-11-24(31)12-7-20/h2-17H,18H2,1H3,(H,33,34)/b32-17+
【InChIKey】
InChIKey=DTKZXKPXTVOSBY-VTNSRFBWSA-N
【SMILES】
Cc1ccccc1C(=O)Oc2ccc(cc2/C=N/NC(=O)c3ccc(cc3)OCc4ccc(cc4)Cl)Br
【MOL File】
4-BR-2-(2-(4-((4-CHL….mol
2ChemicalProperties
【ComputedProperties】
pro_donors:1
pro_acceptors:6
XLogP3:7.0
Bulk/Fine:F
3MaterialMSDS
4CMLFile
4-BR-2-(2-(4-((4-CHLOROBENZYL)OXY)BENZOYL)CARBOHYDRAZONOYL)PH 2-METHYLBENZOATE.cml