769154-07-6
4-BR-2-(2-(((2-IODOBENZOYL)AMINO)AC)CARBOHYDRAZONOYL)PH 3,4-DIMETHOXYBENZOATE
Name4-BR-2-(2-(((2-IODOBENZOYL)AMINO)AC)CARBOHYDRAZONOYL)PH 3,4-DIMETHOXYBENZOATE
FormulaC25 H21 Br I N3 O6
1Identification
【Name】
4-BR-2-(2-(((2-IODOBENZOYL)AMINO)AC)CARBOHYDRAZONOYL)PH 3,4-DIMETHOXYBENZOATE
【CAS】
【MDL】
MFCD05153356
【English Synonyms】
【Formula】
C25 H21 Br I N3 O6
【MolWeight】
666.26
【Inchi】
InChI=1S/C25H21BrIN3O6/c1-34-21-9-7-15(12-22(21)35-2)25(33)36-20-10-8-17(26)11-16(20)13-29-30-23(31)14-28-24(32)18-5-3-4-6-19(18)27/h3-13H,14H2,1-2H3,(H,28,32)(H,30,31)/b29-13+
【InChIKey】
InChIKey=KGCQWQGHPJCTLU-VFLNYLIXSA-N
【SMILES】
COc1ccc(cc1OC)C(=O)Oc2ccc(cc2/C=N/NC(=O)CNC(=O)c3ccccc3I)Br
【MOL File】
4-BR-2-(2-(((2-IODOB….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:2
H bond acceptor:9
XLogP3:4.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
4-BR-2-(2-(((2-IODOBENZOYL)AMINO)AC)CARBOHYDRAZONOYL)PH 3,4-DIMETHOXYBENZOATE.cml