769153-11-9
4-BR-2-(2-(4-((4-METHYLBENZYL)OXY)BENZOYL)CARBOHYDRAZONOYL)PH 2-CHLOROBENZOATE
Name4-BR-2-(2-(4-((4-METHYLBENZYL)OXY)BENZOYL)CARBOHYDRAZONOYL)PH 2-CHLOROBENZOATE
FormulaC29 H22 Br Cl N2 O4
1Identification
【Name】
4-BR-2-(2-(4-((4-METHYLBENZYL)OXY)BENZOYL)CARBOHYDRAZONOYL)PH 2-CHLOROBENZOATE
【CAS】
【MDL】
MFCD05153467
【English Synonyms】
【Formula】
C29 H22 Br Cl N2 O4
【MolWeight】
577.86
【Inchi】
InChI=1S/C29H22BrClN2O4/c1-19-6-8-20(9-7-19)18-36-24-13-10-21(11-14-24)28(34)33-32-17-22-16-23(30)12-15-27(22)37-29(35)25-4-2-3-5-26(25)31/h2-17H,18H2,1H3,(H,33,34)/b32-17+
【InChIKey】
InChIKey=WIELOHCUKSWVMI-VTNSRFBWSA-N
【SMILES】
Cc1ccc(cc1)COc2ccc(cc2)C(=O)N/N=C/c3cc(ccc3OC(=O)c4ccccc4Cl)Br
【MOL File】
4-BR-2-(2-(4-((4-MET….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:6
XLogP3:7.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
4-BR-2-(2-(4-((4-METHYLBENZYL)OXY)BENZOYL)CARBOHYDRAZONOYL)PH 2-CHLOROBENZOATE.cml