765913-11-9
1-(2-(((2-IODOBENZOYL)AMINO)ACETYL)CARBOHYDRAZONOYL)-2-NAPHTHYL 4-CHLOROBENZOATE
Name1-(2-(((2-IODOBENZOYL)AMINO)ACETYL)CARBOHYDRAZONOYL)-2-NAPHTHYL 4-CHLOROBENZOATE
FormulaC27 H19 Cl I N3 O4
1Identification
【Name】
1-(2-(((2-IODOBENZOYL)AMINO)ACETYL)CARBOHYDRAZONOYL)-2-NAPHTHYL 4-CHLOROBENZOATE
【CAS】
【MDL】
MFCD05154534
【English Synonyms】
【Formula】
C27 H19 Cl I N3 O4
【MolWeight】
611.817
【Inchi】
InChI=1S/C27H19ClIN3O4/c28-19-12-9-18(10-13-19)27(35)36-24-14-11-17-5-1-2-6-20(17)22(24)15-31-32-25(33)16-30-26(34)21-7-3-4-8-23(21)29/h1-15H,16H2,(H,30,34)(H,32,33)/b31-15+
【InChIKey】
InChIKey=FVIWDILGDRPIDZ-IBBHUPRXSA-N
【SMILES】
c1ccc2c(c1)ccc(c2/C=N/NC(=O)CNC(=O)c3ccccc3I)OC(=O)c4ccc(cc4)Cl
【MOL File】
1-(2-(((2-IODOBENZOY….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:2
H bond acceptor:7
XLogP3:5.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
1-(2-(((2-IODOBENZOYL)AMINO)ACETYL)CARBOHYDRAZONOYL)-2-NAPHTHYL 4-CHLOROBENZOATE.cml