764657-10-5
4-BROMO-2-(2-STEAROYLCARBOHYDRAZONOYL)PHENYL BENZOATE
Name4-BROMO-2-(2-STEAROYLCARBOHYDRAZONOYL)PHENYL BENZOATE
1Identification
【Name】
4-BROMO-2-(2-STEAROYLCARBOHYDRAZONOYL)PHENYL BENZOATE
【CAS】
【MDL】
MFCD05154496
【English Synonyms】
【Formula】
C32 H45 Br N2 O3
【MolWeight】
585.622
【Inchi】
InChI=1S/C32H45BrN2O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19-22-31(36)35-34-26-28-25-29(33)23-24-30(28)38-32(37)27-20-17-16-18-21-27/h16-18,20-21,23-26H,2-15,19,22H2,1H3,(H,35,36)/b34-26+
【InChIKey】
InChIKey=SOBYEOWRYBWMCG-JJNGWGCYSA-N
【SMILES】
CCCCCCCCCCCCCCCCCC(=O)N/N=C/c1cc(ccc1OC(=O)c2ccccc2)Br
【MOL File】
4-BROMO-2-(2-STEAROY….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-BROMO-2-(2-STEAROYLCARBOHYDRAZONOYL)PHENYL BENZOATE.cml