764657-00-3
4-BROMO-2-(2-(3,4-DIMETHOXYBENZOYL)CARBOHYDRAZONOYL)PHENYL 4-PROPOXYBENZOATE
Name4-BROMO-2-(2-(3,4-DIMETHOXYBENZOYL)CARBOHYDRAZONOYL)PHENYL 4-PROPOXYBENZOATE
1Identification
【Name】
4-BROMO-2-(2-(3,4-DIMETHOXYBENZOYL)CARBOHYDRAZONOYL)PHENYL 4-PROPOXYBENZOATE
【CAS】
【MDL】
MFCD05154564
【English Synonyms】
【Formula】
C26 H25 Br N2 O6
【MolWeight】
541.396
【Inchi】
InChI=1S/C26H25BrN2O6/c1-4-13-34-21-9-5-17(6-10-21)26(31)35-22-12-8-20(27)14-19(22)16-28-29-25(30)18-7-11-23(32-2)24(15-18)33-3/h5-12,14-16H,4,13H2,1-3H3,(H,29,30)/b28-16+
【InChIKey】
InChIKey=HTGGPMSTYSHVQS-LQKURTRISA-N
【SMILES】
CCCOc1ccc(cc1)C(=O)Oc2ccc(cc2/C=N/NC(=O)c3ccc(c(c3)OC)OC)Br
【MOL File】
4-BROMO-2-(2-(3,4-DI….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:8
XLogP3:5.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
4-BROMO-2-(2-(3,4-DIMETHOXYBENZOYL)CARBOHYDRAZONOYL)PHENYL 4-PROPOXYBENZOATE.cml