767332-53-6
1-(2-(4-BROMOBENZOYL)CARBOHYDRAZONOYL)-2-NAPHTHYL 4-CHLOROBENZOATE
Name1-(2-(4-BROMOBENZOYL)CARBOHYDRAZONOYL)-2-NAPHTHYL 4-CHLOROBENZOATE
FormulaC25 H16 Br Cl N2 O3
1Identification
【Name】
1-(2-(4-BROMOBENZOYL)CARBOHYDRAZONOYL)-2-NAPHTHYL 4-CHLOROBENZOATE
【CAS】
【MDL】
MFCD06199657
【English Synonyms】
【Formula】
C25 H16 Br Cl N2 O3
【MolWeight】
507.769
【Inchi】
InChI=1S/C25H16BrClN2O3/c26-19-10-5-17(6-11-19)24(30)29-28-15-22-21-4-2-1-3-16(21)9-14-23(22)32-25(31)18-7-12-20(27)13-8-18/h1-15H,(H,29,30)/b28-15+
【InChIKey】
InChIKey=CEJNELISPQMFBG-RWPZCVJISA-N
【SMILES】
c1ccc2c(c1)ccc(c2/C=N/NC(=O)c3ccc(cc3)Br)OC(=O)c4ccc(cc4)Cl
【MOL File】
1-(2-(4-BROMOBENZOYL….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:5
XLogP3:6.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
1-(2-(4-BROMOBENZOYL)CARBOHYDRAZONOYL)-2-NAPHTHYL 4-CHLOROBENZOATE.cml