767310-46-3
4-BROMO-2-(2-(3-HYDROXY-2-NAPHTHOYL)CARBOHYDRAZONOYL)PHENYL BENZOATE
Name4-BROMO-2-(2-(3-HYDROXY-2-NAPHTHOYL)CARBOHYDRAZONOYL)PHENYL BENZOATE
1Identification
【Name】
4-BROMO-2-(2-(3-HYDROXY-2-NAPHTHOYL)CARBOHYDRAZONOYL)PHENYL BENZOATE
【CAS】
【MDL】
MFCD05720884
【English Synonyms】
【Formula】
C25 H17 Br N2 O4
【MolWeight】
489.323
【Inchi】
InChI=1S/C25H17BrN2O4/c26-20-10-11-23(32-25(31)16-6-2-1-3-7-16)19(12-20)15-27-28-24(30)21-13-17-8-4-5-9-18(17)14-22(21)29/h1-15,29H,(H,28,30)/b27-15+
【InChIKey】
InChIKey=KQJKTPBSXZHLDI-JFLMPSFJSA-N
【SMILES】
c1ccc(cc1)C(=O)Oc2ccc(cc2/C=N/NC(=O)c3cc4ccccc4cc3O)Br
【MOL File】
4-BROMO-2-(2-(3-HYDR….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:2
H bond acceptor:6
XLogP3:6.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
4-BROMO-2-(2-(3-HYDROXY-2-NAPHTHOYL)CARBOHYDRAZONOYL)PHENYL BENZOATE.cml