767333-99-3
4-(2-(((1-BR-2-NAPHTHYL)OXY)AC)CARBOHYDRAZONOYL)-2-ETHOXYPHENYL 4-CHLOROBENZOATE
Name4-(2-(((1-BR-2-NAPHTHYL)OXY)AC)CARBOHYDRAZONOYL)-2-ETHOXYPHENYL 4-CHLOROBENZOATE
FormulaC28 H22 Br Cl N2 O5
1Identification
【Name】
4-(2-(((1-BR-2-NAPHTHYL)OXY)AC)CARBOHYDRAZONOYL)-2-ETHOXYPHENYL 4-CHLOROBENZOATE
【CAS】
【MDL】
MFCD06199598
【English Synonyms】
【Formula】
C28 H22 Br Cl N2 O5
【MolWeight】
581.848
【Inchi】
InChI=1S/C28H22BrClN2O5/c1-2-35-25-15-18(7-13-23(25)37-28(34)20-8-11-21(30)12-9-20)16-31-32-26(33)17-36-24-14-10-19-5-3-4-6-22(19)27(24)29/h3-16H,2,17H2,1H3,(H,32,33)/b31-16+
【InChIKey】
InChIKey=NNYLMYKDFJDKBY-WCMJOSRZSA-N
【SMILES】
CCOc1cc(ccc1OC(=O)c2ccc(cc2)Cl)/C=N/NC(=O)COc3ccc4ccccc4c3Br
【MOL File】
4-(2-(((1-BR-2-NAPHT….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:7
XLogP3:6.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
4-(2-(((1-BR-2-NAPHTHYL)OXY)AC)CARBOHYDRAZONOYL)-2-ETHOXYPHENYL 4-CHLOROBENZOATE.cml