769152-08-1
4-BR-2-(2-(2-((4-CHLOROBENZYL)OXY)BENZOYL)CARBOHYDRAZONOYL)PH 2-CHLOROBENZOATE
Name4-BR-2-(2-(2-((4-CHLOROBENZYL)OXY)BENZOYL)CARBOHYDRAZONOYL)PH 2-CHLOROBENZOATE
FormulaC28 H19 Br Cl2 N2 O4
1Identification
【Name】
4-BR-2-(2-(2-((4-CHLOROBENZYL)OXY)BENZOYL)CARBOHYDRAZONOYL)PH 2-CHLOROBENZOATE
【CAS】
【MDL】
MFCD05153588
【English Synonyms】
【Formula】
C28 H19 Br Cl2 N2 O4
【MolWeight】
598.278
【Inchi】
InChI=1S/C28H19BrCl2N2O4/c29-20-11-14-25(37-28(35)22-5-1-3-7-24(22)31)19(15-20)16-32-33-27(34)23-6-2-4-8-26(23)36-17-18-9-12-21(30)13-10-18/h1-16H,17H2,(H,33,34)/b32-16+
【InChIKey】
InChIKey=QFOJHTXZEPABEK-KPGMTVGESA-N
【SMILES】
c1ccc(c(c1)C(=O)N/N=C/c2cc(ccc2OC(=O)c3ccccc3Cl)Br)OCc4ccc(cc4)Cl
【MOL File】
4-BR-2-(2-(2-((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-(2-((4-CHLOROBENZYL)OXY)BENZOYL)CARBOHYDRAZONOYL)PH 2-CHLOROBENZOATE.cml