769149-07-7
4-BROMO-2-(2-NONANOYLCARBOHYDRAZONOYL)PHENYL 2-CHLOROBENZOATE
Name4-BROMO-2-(2-NONANOYLCARBOHYDRAZONOYL)PHENYL 2-CHLOROBENZOATE
FormulaC23 H26 Br Cl N2 O3
1Identification
【Name】
4-BROMO-2-(2-NONANOYLCARBOHYDRAZONOYL)PHENYL 2-CHLOROBENZOATE
【CAS】
【MDL】
MFCD05154102
【English Synonyms】
【Formula】
C23 H26 Br Cl N2 O3
【MolWeight】
493.826
【Inchi】
InChI=1S/C23H26BrClN2O3/c1-2-3-4-5-6-7-12-22(28)27-26-16-17-15-18(24)13-14-21(17)30-23(29)19-10-8-9-11-20(19)25/h8-11,13-16H,2-7,12H2,1H3,(H,27,28)/b26-16+
【InChIKey】
InChIKey=YUVOKRWQJHFYPH-WGOQTCKBSA-N
【SMILES】
CCCCCCCCC(=O)N/N=C/c1cc(ccc1OC(=O)c2ccccc2Cl)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 2-CHLOROBENZOATE.cml