765310-60-9
4-BROMO-2-(2-NONANOYLCARBOHYDRAZONOYL)PHENYL 4-CHLOROBENZOATE
Name4-BROMO-2-(2-NONANOYLCARBOHYDRAZONOYL)PHENYL 4-CHLOROBENZOATE
FormulaC23 H26 Br Cl N2 O3
1Identification
【Name】
4-BROMO-2-(2-NONANOYLCARBOHYDRAZONOYL)PHENYL 4-CHLOROBENZOATE
【CAS】
【MDL】
MFCD05153796
【English Synonyms】
【Formula】
C23 H26 Br Cl N2 O3
【MolWeight】
493.826
【Inchi】
InChI=1S/C23H26BrClN2O3/c1-2-3-4-5-6-7-8-22(28)27-26-16-18-15-19(24)11-14-21(18)30-23(29)17-9-12-20(25)13-10-17/h9-16H,2-8H2,1H3,(H,27,28)/b26-16+
【InChIKey】
InChIKey=GJYGRYPCCOHKEQ-WGOQTCKBSA-N
【SMILES】
CCCCCCCCC(=O)N/N=C/c1cc(ccc1OC(=O)c2ccc(cc2)Cl)Br
【MOL File】
4-BROMO-2-(2-NONANOY….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:5
XLogP3:6.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
4-BROMO-2-(2-NONANOYLCARBOHYDRAZONOYL)PHENYL 4-CHLOROBENZOATE.cml