765907-80-0
4-BROMO-2-(2-(2-CHLOROBENZOYL)CARBOHYDRAZONOYL)PHENYL 4-ETHOXYBENZOATE
Name4-BROMO-2-(2-(2-CHLOROBENZOYL)CARBOHYDRAZONOYL)PHENYL 4-ETHOXYBENZOATE
FormulaC23 H18 Br Cl N2 O4
1Identification
【Name】
4-BROMO-2-(2-(2-CHLOROBENZOYL)CARBOHYDRAZONOYL)PHENYL 4-ETHOXYBENZOATE
【CAS】
【MDL】
MFCD06199889
【English Synonyms】
【Formula】
C23 H18 Br Cl N2 O4
【MolWeight】
501.762
【Inchi】
InChI=1S/C23H18BrClN2O4/c1-2-30-18-10-7-15(8-11-18)23(29)31-21-12-9-17(24)13-16(21)14-26-27-22(28)19-5-3-4-6-20(19)25/h3-14H,2H2,1H3,(H,27,28)/b26-14+
【InChIKey】
InChIKey=HRPSNDLTLRTWFJ-VULFUBBASA-N
【SMILES】
CCOc1ccc(cc1)C(=O)Oc2ccc(cc2/C=N/NC(=O)c3ccccc3Cl)Br
【MOL File】
4-BROMO-2-(2-(2-CHLO….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:6
XLogP3:5.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
4-BROMO-2-(2-(2-CHLOROBENZOYL)CARBOHYDRAZONOYL)PHENYL 4-ETHOXYBENZOATE.cml