767335-60-4
4-(2-STEAROYLCARBOHYDRAZONOYL)PHENYL 4-BROMOBENZOATE
Name4-(2-STEAROYLCARBOHYDRAZONOYL)PHENYL 4-BROMOBENZOATE
1Identification
【Name】
4-(2-STEAROYLCARBOHYDRAZONOYL)PHENYL 4-BROMOBENZOATE
【CAS】
【MDL】
MFCD06199551
【English Synonyms】
【Formula】
C32 H45 Br N2 O3
【MolWeight】
585.622
【Inchi】
InChI=1S/C32H45BrN2O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-31(36)35-34-26-27-18-24-30(25-19-27)38-32(37)28-20-22-29(33)23-21-28/h18-26H,2-17H2,1H3,(H,35,36)/b34-26+
【InChIKey】
InChIKey=LEEIRAYLFDDJIJ-JJNGWGCYSA-N
【SMILES】
CCCCCCCCCCCCCCCCCC(=O)N/N=C/c1ccc(cc1)OC(=O)c2ccc(cc2)Br
【MOL File】
4-(2-STEAROYLCARBOHY….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:5
XLogP3:10.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
4-(2-STEAROYLCARBOHYDRAZONOYL)PHENYL 4-BROMOBENZOATE.cml