764656-98-6
1-(2-(((2-IODOBENZOYL)AMINO)AC)CARBOHYDRAZONOYL)-2-NAPHTHYL 2,4-DICHLOROBENZOATE
Name1-(2-(((2-IODOBENZOYL)AMINO)AC)CARBOHYDRAZONOYL)-2-NAPHTHYL 2,4-DICHLOROBENZOATE
FormulaC27 H18 Cl2 I N3 O4
1Identification
【Name】
1-(2-(((2-IODOBENZOYL)AMINO)AC)CARBOHYDRAZONOYL)-2-NAPHTHYL 2,4-DICHLOROBENZOATE
【CAS】
【MDL】
MFCD05154567
【English Synonyms】
【Formula】
C27 H18 Cl2 I N3 O4
【MolWeight】
646.262
【Inchi】
InChI=1S/C27H18Cl2IN3O4/c28-17-10-11-19(22(29)13-17)27(36)37-24-12-9-16-5-1-2-6-18(16)21(24)14-32-33-25(34)15-31-26(35)20-7-3-4-8-23(20)30/h1-14H,15H2,(H,31,35)(H,33,34)/b32-14+
【InChIKey】
InChIKey=UNFCSQWCKIXHPF-HIWRWHBISA-N
【SMILES】
c1ccc2c(c1)ccc(c2/C=N/NC(=O)CNC(=O)c3ccccc3I)OC(=O)c4ccc(cc4Cl)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)AC)CARBOHYDRAZONOYL)-2-NAPHTHYL 2,4-DICHLOROBENZOATE.cml