764653-07-8
4-(2-(2,4-DIHYDROXYBENZOYL)CARBOHYDRAZONOYL)PHENYL 2-FLUOROBENZOATE
Name4-(2-(2,4-DIHYDROXYBENZOYL)CARBOHYDRAZONOYL)PHENYL 2-FLUOROBENZOATE
pro_formulaC21 H15 F N2 O5
1Identification
【Name】
4-(2-(2,4-DIHYDROXYBENZOYL)CARBOHYDRAZONOYL)PHENYL 2-FLUOROBENZOATE
【CAS】
【MDL】
MFCD05720449
【中文同义词】
【EnglishSynonyms】
【pro_formula】
C21 H15 F N2 O5
【pro_molWeight】
394.357
【Inchi】
InChI=1S/C21H15FN2O5/c22-18-4-2-1-3-16(18)21(28)29-15-8-5-13(6-9-15)12-23-24-20(27)17-10-7-14(25)11-19(17)26/h1-12,25-26H,(H,24,27)/b23-12+
【InChIKey】
InChIKey=UTWALEJSOZJMQV-FSJBWODESA-N
【SMILES】
c1ccc(c(c1)C(=O)Oc2ccc(cc2)/C=N/NC(=O)c3ccc(cc3O)O)F
【MOL File】
4-(2-(2,4-DIHYDROXYB….mol
2ChemicalProperties
【ComputedProperties】
pro_donors:3
pro_acceptors:7
XLogP3:3.0
Bulk/Fine:F
3MaterialMSDS
4CMLFile
4-(2-(2,4-DIHYDROXYBENZOYL)CARBOHYDRAZONOYL)PHENYL 2-FLUOROBENZOATE.cml