767339-24-2
4-BROMO-2-(2-TETRADECANOYLCARBOHYDRAZONOYL)PHENYL 4-METHOXYBENZOATE
Name4-BROMO-2-(2-TETRADECANOYLCARBOHYDRAZONOYL)PHENYL 4-METHOXYBENZOATE
1Identification
【Name】
4-BROMO-2-(2-TETRADECANOYLCARBOHYDRAZONOYL)PHENYL 4-METHOXYBENZOATE
【CAS】
【MDL】
MFCD05152343
【English Synonyms】
【Formula】
C29 H39 Br N2 O4
【MolWeight】
559.541
【Inchi】
InChI=1S/C29H39BrN2O4/c1-3-4-5-6-7-8-9-10-11-12-13-14-28(33)32-31-22-24-21-25(30)17-20-27(24)36-29(34)23-15-18-26(35-2)19-16-23/h15-22H,3-14H2,1-2H3,(H,32,33)/b31-22+
【InChIKey】
InChIKey=NKMOOSBXHMTUSW-DFKUXCBWSA-N
【SMILES】
CCCCCCCCCCCCCC(=O)N/N=C/c1cc(ccc1OC(=O)c2ccc(cc2)OC)Br
【MOL File】
4-BROMO-2-(2-TETRADE….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:6
XLogP3:8.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
4-BROMO-2-(2-TETRADECANOYLCARBOHYDRAZONOYL)PHENYL 4-METHOXYBENZOATE.cml