769152-06-9
4-BR-2-(2-(4-((4-METHYLBENZYL)OXY)BENZOYL)CARBOHYDRAZONOYL)PH 4-METHOXYBENZOATE
Name4-BR-2-(2-(4-((4-METHYLBENZYL)OXY)BENZOYL)CARBOHYDRAZONOYL)PH 4-METHOXYBENZOATE
1Identification
【Name】
4-BR-2-(2-(4-((4-METHYLBENZYL)OXY)BENZOYL)CARBOHYDRAZONOYL)PH 4-METHOXYBENZOATE
【CAS】
【MDL】
MFCD05153589
【English Synonyms】
【Formula】
C30 H25 Br N2 O5
【MolWeight】
573.44
【Inchi】
InChI=1S/C30H25BrN2O5/c1-20-3-5-21(6-4-20)19-37-27-14-7-22(8-15-27)29(34)33-32-18-24-17-25(31)11-16-28(24)38-30(35)23-9-12-26(36-2)13-10-23/h3-18H,19H2,1-2H3,(H,33,34)/b32-18+
【InChIKey】
InChIKey=MDRBMGWRKLBRDR-KCSSXMTESA-N
【SMILES】
Cc1ccc(cc1)COc2ccc(cc2)C(=O)N/N=C/c3cc(ccc3OC(=O)c4ccc(cc4)OC)Br
【MOL File】
4-BR-2-(2-(4-((4-MET….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-METHYLBENZYL)OXY)BENZOYL)CARBOHYDRAZONOYL)PH 4-METHOXYBENZOATE.cml