769151-83-9
4-BR-2-(2-(4-((4-CHLOROBENZYL)OXY)BENZOYL)CARBOHYDRAZONOYL)PH 2-CHLOROBENZOATE
Name4-BR-2-(2-(4-((4-CHLOROBENZYL)OXY)BENZOYL)CARBOHYDRAZONOYL)PH 2-CHLOROBENZOATE
FormulaC28 H19 Br Cl2 N2 O4
1Identification
【Name】
4-BR-2-(2-(4-((4-CHLOROBENZYL)OXY)BENZOYL)CARBOHYDRAZONOYL)PH 2-CHLOROBENZOATE
【CAS】
【MDL】
MFCD05153628
【English Synonyms】
【Formula】
C28 H19 Br Cl2 N2 O4
【MolWeight】
598.278
【Inchi】
InChI=1S/C28H19BrCl2N2O4/c29-21-9-14-26(37-28(35)24-3-1-2-4-25(24)31)20(15-21)16-32-33-27(34)19-7-12-23(13-8-19)36-17-18-5-10-22(30)11-6-18/h1-16H,17H2,(H,33,34)/b32-16+
【InChIKey】
InChIKey=JRFYNMOIOUUVQE-KPGMTVGESA-N
【SMILES】
c1ccc(c(c1)C(=O)Oc2ccc(cc2/C=N/NC(=O)c3ccc(cc3)OCc4ccc(cc4)Cl)Br)Cl
【MOL File】
4-BR-2-(2-(4-((4-CHL….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:6
XLogP3:7.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
4-BR-2-(2-(4-((4-CHLOROBENZYL)OXY)BENZOYL)CARBOHYDRAZONOYL)PH 2-CHLOROBENZOATE.cml