767289-61-2
4-BROMO-2-(2-((2-NAPHTHYLOXY)ACETYL)CARBOHYDRAZONOYL)PHENYL 4-METHOXYBENZOATE
Name4-BROMO-2-(2-((2-NAPHTHYLOXY)ACETYL)CARBOHYDRAZONOYL)PHENYL 4-METHOXYBENZOATE
1Identification
【Name】
4-BROMO-2-(2-((2-NAPHTHYLOXY)ACETYL)CARBOHYDRAZONOYL)PHENYL 4-METHOXYBENZOATE
【CAS】
【MDL】
MFCD05153872
【English Synonyms】
【Formula】
C27 H21 Br N2 O5
【MolWeight】
533.376
【Inchi】
InChI=1S/C27H21BrN2O5/c1-33-23-10-7-19(8-11-23)27(32)35-25-13-9-22(28)14-21(25)16-29-30-26(31)17-34-24-12-6-18-4-2-3-5-20(18)15-24/h2-16H,17H2,1H3,(H,30,31)/b29-16+
【InChIKey】
InChIKey=ARCQCWONAFWBPS-MUFRIFMGSA-N
【SMILES】
COc1ccc(cc1)C(=O)Oc2ccc(cc2/C=N/NC(=O)COc3ccc4ccccc4c3)Br
【MOL File】
4-BROMO-2-(2-((2-NAP….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:7
XLogP3:5.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
4-BROMO-2-(2-((2-NAPHTHYLOXY)ACETYL)CARBOHYDRAZONOYL)PHENYL 4-METHOXYBENZOATE.cml