769151-73-7
4-BROMO-2-(2-(2,4-DIHYDROXYBENZOYL)CARBOHYDRAZONOYL)PHENYL BENZOATE
Name4-BROMO-2-(2-(2,4-DIHYDROXYBENZOYL)CARBOHYDRAZONOYL)PHENYL BENZOATE
1Identification
【Name】
4-BROMO-2-(2-(2,4-DIHYDROXYBENZOYL)CARBOHYDRAZONOYL)PHENYL BENZOATE
【CAS】
【MDL】
MFCD05153640
【English Synonyms】
【Formula】
C21 H15 Br N2 O5
【MolWeight】
455.263
【Inchi】
InChI=1S/C21H15BrN2O5/c22-15-6-9-19(29-21(28)13-4-2-1-3-5-13)14(10-15)12-23-24-20(27)17-8-7-16(25)11-18(17)26/h1-12,25-26H,(H,24,27)/b23-12+
【InChIKey】
InChIKey=FLFSFXVMWDYGPN-FSJBWODESA-N
【SMILES】
c1ccc(cc1)C(=O)Oc2ccc(cc2/C=N/NC(=O)c3ccc(cc3O)O)Br
【MOL File】
4-BROMO-2-(2-(2,4-DI….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:3
H bond acceptor:7
XLogP3:4.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
4-BROMO-2-(2-(2,4-DIHYDROXYBENZOYL)CARBOHYDRAZONOYL)PHENYL BENZOATE.cml