769148-41-6
4-BR-2-(2-(4-((4-CHLOROBENZYL)OXY)BENZOYL)CARBOHYDRAZONOYL)PH 4-ETHOXYBENZOATE
Name4-BR-2-(2-(4-((4-CHLOROBENZYL)OXY)BENZOYL)CARBOHYDRAZONOYL)PH 4-ETHOXYBENZOATE
FormulaC30 H24 Br Cl N2 O5
1Identification
【Name】
4-BR-2-(2-(4-((4-CHLOROBENZYL)OXY)BENZOYL)CARBOHYDRAZONOYL)PH 4-ETHOXYBENZOATE
【CAS】
【MDL】
MFCD05154164
【English Synonyms】
【Formula】
C30 H24 Br Cl N2 O5
【MolWeight】
607.886
【Inchi】
InChI=1S/C30H24BrClN2O5/c1-2-37-26-14-7-22(8-15-26)30(36)39-28-16-9-24(31)17-23(28)18-33-34-29(35)21-5-12-27(13-6-21)38-19-20-3-10-25(32)11-4-20/h3-18H,2,19H2,1H3,(H,34,35)/b33-18+
【InChIKey】
InChIKey=DOSTVXNPZWKCBN-DPNNOFEESA-N
【SMILES】
CCOc1ccc(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
XLogP3:7.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
4-BR-2-(2-(4-((4-CHLOROBENZYL)OXY)BENZOYL)CARBOHYDRAZONOYL)PH 4-ETHOXYBENZOATE.cml