769151-95-3
4-BROMO-2-(2-TETRADECANOYLCARBOHYDRAZONOYL)PHENYL 4-PROPOXYBENZOATE
Name4-BROMO-2-(2-TETRADECANOYLCARBOHYDRAZONOYL)PHENYL 4-PROPOXYBENZOATE
1Identification
【Name】
4-BROMO-2-(2-TETRADECANOYLCARBOHYDRAZONOYL)PHENYL 4-PROPOXYBENZOATE
【CAS】
【MDL】
MFCD05153608
【English Synonyms】
【Formula】
C31 H43 Br N2 O4
【MolWeight】
587.595
【Inchi】
InChI=1S/C31H43BrN2O4/c1-3-5-6-7-8-9-10-11-12-13-14-15-30(35)34-33-24-26-23-27(32)18-21-29(26)38-31(36)25-16-19-28(20-17-25)37-22-4-2/h16-21,23-24H,3-15,22H2,1-2H3,(H,34,35)/b33-24+
【InChIKey】
InChIKey=LEYQUUDTNONHIG-IWBSIUBASA-N
【SMILES】
CCCCCCCCCCCCCC(=O)N/N=C/c1cc(ccc1OC(=O)c2ccc(cc2)OCCC)Br
【MOL File】
4-BROMO-2-(2-TETRADE….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:6
XLogP3:9.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
4-BROMO-2-(2-TETRADECANOYLCARBOHYDRAZONOYL)PHENYL 4-PROPOXYBENZOATE.cml