769153-08-4
2-METHOXY-4-(2-STEAROYLCARBOHYDRAZONOYL)PHENYL 3-BROMOBENZOATE
Name2-METHOXY-4-(2-STEAROYLCARBOHYDRAZONOYL)PHENYL 3-BROMOBENZOATE
1Identification
【Name】
2-METHOXY-4-(2-STEAROYLCARBOHYDRAZONOYL)PHENYL 3-BROMOBENZOATE
【CAS】
【MDL】
MFCD05153469
【English Synonyms】
【Formula】
C33 H47 Br N2 O4
【MolWeight】
615.648
【Inchi】
InChI=1S/C33H47BrN2O4/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21-32(37)36-35-26-27-22-23-30(31(24-27)39-2)40-33(38)28-19-18-20-29(34)25-28/h18-20,22-26H,3-17,21H2,1-2H3,(H,36,37)/b35-26+
【InChIKey】
InChIKey=SOIIXGGLRRGSDR-MDAYZVFASA-N
【SMILES】
CCCCCCCCCCCCCCCCCC(=O)N/N=C/c1ccc(c(c1)OC)OC(=O)c2cccc(c2)Br
【MOL File】
2-METHOXY-4-(2-STEAR….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
2-METHOXY-4-(2-STEAROYLCARBOHYDRAZONOYL)PHENYL 3-BROMOBENZOATE.cml