765310-47-2
4-BROMO-2-(2-(4-FLUOROBENZOYL)CARBOHYDRAZONOYL)PHENYL 4-METHOXYBENZOATE
Name4-BROMO-2-(2-(4-FLUOROBENZOYL)CARBOHYDRAZONOYL)PHENYL 4-METHOXYBENZOATE
FormulaC22 H16 Br F N2 O4
1Identification
【Name】
4-BROMO-2-(2-(4-FLUOROBENZOYL)CARBOHYDRAZONOYL)PHENYL 4-METHOXYBENZOATE
【CAS】
【MDL】
MFCD05153806
【English Synonyms】
【Formula】
C22 H16 Br F N2 O4
【MolWeight】
471.28
【Inchi】
InChI=1S/C22H16BrFN2O4/c1-29-19-9-4-15(5-10-19)22(28)30-20-11-6-17(23)12-16(20)13-25-26-21(27)14-2-7-18(24)8-3-14/h2-13H,1H3,(H,26,27)/b25-13+
【InChIKey】
InChIKey=MYRPAQWERNQJGT-DHRITJCHSA-N
【SMILES】
COc1ccc(cc1)C(=O)Oc2ccc(cc2/C=N/NC(=O)c3ccc(cc3)F)Br
【MOL File】
4-BROMO-2-(2-(4-FLUO….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-(4-FLUOROBENZOYL)CARBOHYDRAZONOYL)PHENYL 4-METHOXYBENZOATE.cml