767332-87-6
1-(2-(((1-BR-2-NAPHTHYL)OXY)ACETYL)CARBOHYDRAZONOYL)-2-NAPHTHYL 2-CHLOROBENZOATE
Name1-(2-(((1-BR-2-NAPHTHYL)OXY)ACETYL)CARBOHYDRAZONOYL)-2-NAPHTHYL 2-CHLOROBENZOATE
FormulaC30 H20 Br Cl N2 O4
1Identification
【Name】
1-(2-(((1-BR-2-NAPHTHYL)OXY)ACETYL)CARBOHYDRAZONOYL)-2-NAPHTHYL 2-CHLOROBENZOATE
【CAS】
【MDL】
MFCD06199622
【English Synonyms】
【Formula】
C30 H20 Br Cl N2 O4
【MolWeight】
587.855
【Inchi】
InChI=1S/C30H20BrClN2O4/c31-29-22-10-4-2-8-20(22)14-16-27(29)37-18-28(35)34-33-17-24-21-9-3-1-7-19(21)13-15-26(24)38-30(36)23-11-5-6-12-25(23)32/h1-17H,18H2,(H,34,35)/b33-17+
【InChIKey】
InChIKey=LOHKKIRXQNFXKS-ATZGPIRCSA-N
【SMILES】
c1ccc2c(c1)ccc(c2/C=N/NC(=O)COc3ccc4ccccc4c3Br)OC(=O)c5ccccc5Cl
【MOL File】
1-(2-(((1-BR-2-NAPHT….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
1-(2-(((1-BR-2-NAPHTHYL)OXY)ACETYL)CARBOHYDRAZONOYL)-2-NAPHTHYL 2-CHLOROBENZOATE.cml