769150-17-6
4-BROMO-2-(2-(2-IODOBENZOYL)CARBOHYDRAZONOYL)PHENYL 2-CHLOROBENZOATE
Name4-BROMO-2-(2-(2-IODOBENZOYL)CARBOHYDRAZONOYL)PHENYL 2-CHLOROBENZOATE
FormulaC21 H13 Br Cl I N2 O3
1Identification
【Name】
4-BROMO-2-(2-(2-IODOBENZOYL)CARBOHYDRAZONOYL)PHENYL 2-CHLOROBENZOATE
【CAS】
【MDL】
MFCD05153991
【English Synonyms】
【Formula】
C21 H13 Br Cl I N2 O3
【MolWeight】
583.602
【Inchi】
InChI=1S/C21H13BrClIN2O3/c22-14-9-10-19(29-21(28)15-5-1-3-7-17(15)23)13(11-14)12-25-26-20(27)16-6-2-4-8-18(16)24/h1-12H,(H,26,27)/b25-12+
【InChIKey】
InChIKey=BCWGQKYWQWOTRU-BRJLIKDPSA-N
【SMILES】
c1ccc(c(c1)C(=O)Oc2ccc(cc2/C=N/NC(=O)c3ccccc3I)Br)Cl
【MOL File】
4-BROMO-2-(2-(2-IODO….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:5
XLogP3:5.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
4-BROMO-2-(2-(2-IODOBENZOYL)CARBOHYDRAZONOYL)PHENYL 2-CHLOROBENZOATE.cml