764656-85-1
4-BROMO-2-(2-STEAROYLCARBOHYDRAZONOYL)PHENYL 4-PROPOXYBENZOATE
Name4-BROMO-2-(2-STEAROYLCARBOHYDRAZONOYL)PHENYL 4-PROPOXYBENZOATE
1Identification
【Name】
4-BROMO-2-(2-STEAROYLCARBOHYDRAZONOYL)PHENYL 4-PROPOXYBENZOATE
【CAS】
【MDL】
MFCD05154586
【English Synonyms】
【Formula】
C35 H51 Br N2 O4
【MolWeight】
643.702
【Inchi】
InChI=1S/C35H51BrN2O4/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-34(39)38-37-28-30-27-31(36)22-25-33(30)42-35(40)29-20-23-32(24-21-29)41-26-4-2/h20-25,27-28H,3-19,26H2,1-2H3,(H,38,39)/b37-28+
【InChIKey】
InChIKey=UPFNSKVPSQENND-PNFNHJRFSA-N
【SMILES】
CCCCCCCCCCCCCCCCCC(=O)N/N=C/c1cc(ccc1OC(=O)c2ccc(cc2)OCCC)Br
【MOL File】
4-BROMO-2-(2-STEAROY….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:6
XLogP3:11.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
4-BROMO-2-(2-STEAROYLCARBOHYDRAZONOYL)PHENYL 4-PROPOXYBENZOATE.cml