769151-98-6
4-BROMO-2-(2-PALMITOYLCARBOHYDRAZONOYL)PHENYL 4-PROPOXYBENZOATE
Name4-BROMO-2-(2-PALMITOYLCARBOHYDRAZONOYL)PHENYL 4-PROPOXYBENZOATE
1Identification
【Name】
4-BROMO-2-(2-PALMITOYLCARBOHYDRAZONOYL)PHENYL 4-PROPOXYBENZOATE
【CAS】
【MDL】
MFCD05153603
【English Synonyms】
【Formula】
C33 H47 Br N2 O4
【MolWeight】
615.648
【Inchi】
InChI=1S/C33H47BrN2O4/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-32(37)36-35-26-28-25-29(34)20-23-31(28)40-33(38)27-18-21-30(22-19-27)39-24-4-2/h18-23,25-26H,3-17,24H2,1-2H3,(H,36,37)/b35-26+
【InChIKey】
InChIKey=AGTSPVWFOXFYST-MDAYZVFASA-N
【SMILES】
CCCCCCCCCCCCCCCC(=O)N/N=C/c1cc(ccc1OC(=O)c2ccc(cc2)OCCC)Br
【MOL File】
4-BROMO-2-(2-PALMITO….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:6
XLogP3:10.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
4-BROMO-2-(2-PALMITOYLCARBOHYDRAZONOYL)PHENYL 4-PROPOXYBENZOATE.cml