769152-53-6
4-BR-2-(2-(4-((4-CHLOROBENZYL)OXY)BENZOYL)CARBOHYDRAZONOYL)PH 4-CHLOROBENZOATE
Name4-BR-2-(2-(4-((4-CHLOROBENZYL)OXY)BENZOYL)CARBOHYDRAZONOYL)PH 4-CHLOROBENZOATE
FormulaC28 H19 Br Cl2 N2 O4
1Identification
【Name】
4-BR-2-(2-(4-((4-CHLOROBENZYL)OXY)BENZOYL)CARBOHYDRAZONOYL)PH 4-CHLOROBENZOATE
【CAS】
【MDL】
MFCD05153530
【English Synonyms】
【Formula】
C28 H19 Br Cl2 N2 O4
【MolWeight】
598.278
【Inchi】
InChI=1S/C28H19BrCl2N2O4/c29-22-7-14-26(37-28(35)20-3-10-24(31)11-4-20)21(15-22)16-32-33-27(34)19-5-12-25(13-6-19)36-17-18-1-8-23(30)9-2-18/h1-16H,17H2,(H,33,34)/b32-16+
【InChIKey】
InChIKey=RKRSUQJVZBXBET-KPGMTVGESA-N
【SMILES】
c1cc(ccc1COc2ccc(cc2)C(=O)N/N=C/c3cc(ccc3OC(=O)c4ccc(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 4-CHLOROBENZOATE.cml