769150-69-8
4-BROMO-2-(2-DECANOYLCARBOHYDRAZONOYL)PHENYL 4-METHOXYBENZOATE
Name4-BROMO-2-(2-DECANOYLCARBOHYDRAZONOYL)PHENYL 4-METHOXYBENZOATE
1Identification
【Name】
4-BROMO-2-(2-DECANOYLCARBOHYDRAZONOYL)PHENYL 4-METHOXYBENZOATE
【CAS】
【MDL】
MFCD05153931
【English Synonyms】
【Formula】
C25 H31 Br N2 O4
【MolWeight】
503.434
【Inchi】
InChI=1S/C25H31BrN2O4/c1-3-4-5-6-7-8-9-10-24(29)28-27-18-20-17-21(26)13-16-23(20)32-25(30)19-11-14-22(31-2)15-12-19/h11-18H,3-10H2,1-2H3,(H,28,29)/b27-18+
【InChIKey】
InChIKey=XFBTWARJIQZSOM-OVVQPSECSA-N
【SMILES】
CCCCCCCCCC(=O)N/N=C/c1cc(ccc1OC(=O)c2ccc(cc2)OC)Br
【MOL File】
4-BROMO-2-(2-DECANOY….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:6
XLogP3:6.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
4-BROMO-2-(2-DECANOYLCARBOHYDRAZONOYL)PHENYL 4-METHOXYBENZOATE.cml