769149-85-1
4-BR-2-(2-(4-((4-METHYLBENZYL)OXY)BENZOYL)CARBOHYDRAZONOYL)PH 4-ETHOXYBENZOATE
Name4-BR-2-(2-(4-((4-METHYLBENZYL)OXY)BENZOYL)CARBOHYDRAZONOYL)PH 4-ETHOXYBENZOATE
1Identification
【Name】
4-BR-2-(2-(4-((4-METHYLBENZYL)OXY)BENZOYL)CARBOHYDRAZONOYL)PH 4-ETHOXYBENZOATE
【CAS】
【MDL】
MFCD05154029
【English Synonyms】
【Formula】
C31 H27 Br N2 O5
【MolWeight】
587.467
【Inchi】
InChI=1S/C31H27BrN2O5/c1-3-37-27-15-10-24(11-16-27)31(36)39-29-17-12-26(32)18-25(29)19-33-34-30(35)23-8-13-28(14-9-23)38-20-22-6-4-21(2)5-7-22/h4-19H,3,20H2,1-2H3,(H,34,35)/b33-19+
【InChIKey】
InChIKey=MMOTXWMGPBEJOC-HNSNBQBZSA-N
【SMILES】
CCOc1ccc(cc1)C(=O)Oc2ccc(cc2/C=N/NC(=O)c3ccc(cc3)OCc4ccc(cc4)C)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-ETHOXYBENZOATE.cml