769151-13-5
4-BROMO-2-(2-(2-IODOBENZOYL)CARBOHYDRAZONOYL)PHENYL 4-METHOXYBENZOATE
Name4-BROMO-2-(2-(2-IODOBENZOYL)CARBOHYDRAZONOYL)PHENYL 4-METHOXYBENZOATE
FormulaC22 H16 Br I N2 O4
1Identification
【Name】
4-BROMO-2-(2-(2-IODOBENZOYL)CARBOHYDRAZONOYL)PHENYL 4-METHOXYBENZOATE
【CAS】
【MDL】
MFCD05153846
【English Synonyms】
【Formula】
C22 H16 Br I N2 O4
【MolWeight】
579.182
【Inchi】
InChI=1S/C22H16BrIN2O4/c1-29-17-9-6-14(7-10-17)22(28)30-20-11-8-16(23)12-15(20)13-25-26-21(27)18-4-2-3-5-19(18)24/h2-13H,1H3,(H,26,27)/b25-13+
【InChIKey】
InChIKey=JNPYEZYPOUJRQV-DHRITJCHSA-N
【SMILES】
COc1ccc(cc1)C(=O)Oc2ccc(cc2/C=N/NC(=O)c3ccccc3I)Br
【MOL File】
4-BROMO-2-(2-(2-IODO….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:6
XLogP3:5.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
4-BROMO-2-(2-(2-IODOBENZOYL)CARBOHYDRAZONOYL)PHENYL 4-METHOXYBENZOATE.cml