764657-01-4
4-(2-(2,4-DIHYDROXYBENZOYL)CARBOHYDRAZONOYL)PHENYL 2,4-DICHLOROBENZOATE
Name4-(2-(2,4-DIHYDROXYBENZOYL)CARBOHYDRAZONOYL)PHENYL 2,4-DICHLOROBENZOATE
pro_formulaC21 H14 Cl2 N2 O5
1Identification
【Name】
4-(2-(2,4-DIHYDROXYBENZOYL)CARBOHYDRAZONOYL)PHENYL 2,4-DICHLOROBENZOATE
【CAS】
【MDL】
MFCD05154563
【中文同义词】
【EnglishSynonyms】
【pro_formula】
C21 H14 Cl2 N2 O5
【pro_molWeight】
445.257
【Inchi】
InChI=1S/C21H14Cl2N2O5/c22-13-3-7-16(18(23)9-13)21(29)30-15-5-1-12(2-6-15)11-24-25-20(28)17-8-4-14(26)10-19(17)27/h1-11,26-27H,(H,25,28)/b24-11+
【InChIKey】
InChIKey=XOZFXRHNVUUQDY-BHGWPJFGSA-N
【SMILES】
c1cc(ccc1/C=N/NC(=O)c2ccc(cc2O)O)OC(=O)c3ccc(cc3Cl)Cl
【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 2,4-DICHLOROBENZOATE.cml