769152-86-5
4-BR-2-(2-(4-((4-CHLOROBENZYL)OXY)BENZOYL)CARBOHYDRAZONOYL)PH 4-PROPOXYBENZOATE
Name4-BR-2-(2-(4-((4-CHLOROBENZYL)OXY)BENZOYL)CARBOHYDRAZONOYL)PH 4-PROPOXYBENZOATE
FormulaC31 H26 Br Cl N2 O5
1Identification
【Name】
4-BR-2-(2-(4-((4-CHLOROBENZYL)OXY)BENZOYL)CARBOHYDRAZONOYL)PH 4-PROPOXYBENZOATE
【CAS】
【MDL】
MFCD05153492
【English Synonyms】
【Formula】
C31 H26 Br Cl N2 O5
【MolWeight】
621.912
【Inchi】
InChI=1S/C31H26BrClN2O5/c1-2-17-38-27-14-7-23(8-15-27)31(37)40-29-16-9-25(32)18-24(29)19-34-35-30(36)22-5-12-28(13-6-22)39-20-21-3-10-26(33)11-4-21/h3-16,18-19H,2,17,20H2,1H3,(H,35,36)/b34-19+
【InChIKey】
InChIKey=YQZASQQHRGNMCY-ALQBTCKLSA-N
【SMILES】
CCCOc1ccc(cc1)C(=O)Oc2ccc(cc2/C=N/NC(=O)c3ccc(cc3)OCc4ccc(cc4)Cl)Br
【MOL File】
4-BR-2-(2-(4-((4-CHL….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:7
XLogP3:8.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
4-BR-2-(2-(4-((4-CHLOROBENZYL)OXY)BENZOYL)CARBOHYDRAZONOYL)PH 4-PROPOXYBENZOATE.cml