769153-74-4
4-BR-2-(2-(2-((4-CHLOROBENZYL)OXY)BENZOYL)CARBOHYDRAZONOYL)PH 4-PROPOXYBENZOATE
Name4-BR-2-(2-(2-((4-CHLOROBENZYL)OXY)BENZOYL)CARBOHYDRAZONOYL)PH 4-PROPOXYBENZOATE
FormulaC31 H26 Br Cl N2 O5
1Identification
【Name】
4-BR-2-(2-(2-((4-CHLOROBENZYL)OXY)BENZOYL)CARBOHYDRAZONOYL)PH 4-PROPOXYBENZOATE
【CAS】
【MDL】
MFCD05153387
【English Synonyms】
【Formula】
C31 H26 Br Cl N2 O5
【MolWeight】
621.912
【Inchi】
InChI=1S/C31H26BrClN2O5/c1-2-17-38-26-14-9-22(10-15-26)31(37)40-28-16-11-24(32)18-23(28)19-34-35-30(36)27-5-3-4-6-29(27)39-20-21-7-12-25(33)13-8-21/h3-16,18-19H,2,17,20H2,1H3,(H,35,36)/b34-19+
【InChIKey】
InChIKey=VJTHWHLMKVMAJB-ALQBTCKLSA-N
【SMILES】
CCCOc1ccc(cc1)C(=O)Oc2ccc(cc2/C=N/NC(=O)c3ccccc3OCc4ccc(cc4)Cl)Br
【MOL File】
4-BR-2-(2-(2-((4-CHL….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-(2-((4-CHLOROBENZYL)OXY)BENZOYL)CARBOHYDRAZONOYL)PH 4-PROPOXYBENZOATE.cml