769151-82-8
4-BR-2-(2-(((2-IODOBENZOYL)AMINO)ACETYL)CARBOHYDRAZONOYL)PHENYL 2-CHLOROBENZOATE
Name4-BR-2-(2-(((2-IODOBENZOYL)AMINO)ACETYL)CARBOHYDRAZONOYL)PHENYL 2-CHLOROBENZOATE
FormulaC23 H16 Br Cl I N3 O4
1Identification
【Name】
4-BR-2-(2-(((2-IODOBENZOYL)AMINO)ACETYL)CARBOHYDRAZONOYL)PHENYL 2-CHLOROBENZOATE
【CAS】
【MDL】
MFCD05153629
【English Synonyms】
【Formula】
C23 H16 Br Cl I N3 O4
【MolWeight】
640.653
【Inchi】
InChI=1S/C23H16BrClIN3O4/c24-15-9-10-20(33-23(32)16-5-1-3-7-18(16)25)14(11-15)12-28-29-21(30)13-27-22(31)17-6-2-4-8-19(17)26/h1-12H,13H2,(H,27,31)(H,29,30)/b28-12+
【InChIKey】
InChIKey=OLKGGHOQYUUXPQ-KVSWJAHQSA-N
【SMILES】
c1ccc(c(c1)C(=O)Oc2ccc(cc2/C=N/NC(=O)CNC(=O)c3ccccc3I)Br)Cl
【MOL File】
4-BR-2-(2-(((2-IODOB….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
4-BR-2-(2-(((2-IODOBENZOYL)AMINO)ACETYL)CARBOHYDRAZONOYL)PHENYL 2-CHLOROBENZOATE.cml