767314-15-8
4-(2-(2,4-DIHYDROXYBENZOYL)CARBOHYDRAZONOYL)PHENYL 4-BROMOBENZOATE
Name4-(2-(2,4-DIHYDROXYBENZOYL)CARBOHYDRAZONOYL)PHENYL 4-BROMOBENZOATE
pro_formulaC21 H15 Br N2 O5
1Identification
【Name】
4-(2-(2,4-DIHYDROXYBENZOYL)CARBOHYDRAZONOYL)PHENYL 4-BROMOBENZOATE
【CAS】
【MDL】
MFCD05720772
【中文同义词】
【EnglishSynonyms】
【pro_formula】
C21 H15 Br N2 O5
【pro_molWeight】
455.263
【Inchi】
InChI=1S/C21H15BrN2O5/c22-15-5-3-14(4-6-15)21(28)29-17-8-1-13(2-9-17)12-23-24-20(27)18-10-7-16(25)11-19(18)26/h1-12,25-26H,(H,24,27)/b23-12+
【InChIKey】
InChIKey=MBLSJXJHNDZGHA-FSJBWODESA-N
【SMILES】
c1cc(ccc1/C=N/NC(=O)c2ccc(cc2O)O)OC(=O)c3ccc(cc3)Br
【MOL File】
4-(2-(2,4-DIHYDROXYB….mol
2ChemicalProperties
【ComputedProperties】
pro_donors:3
pro_acceptors:7
XLogP3:4.0
Bulk/Fine:F
3MaterialMSDS
4CMLFile
4-(2-(2,4-DIHYDROXYBENZOYL)CARBOHYDRAZONOYL)PHENYL 4-BROMOBENZOATE.cml