767333-86-8
4-(2-(2-BROMOBENZOYL)CARBOHYDRAZONOYL)-2-ETHOXYPHENYL 4-CHLOROBENZOATE
Name4-(2-(2-BROMOBENZOYL)CARBOHYDRAZONOYL)-2-ETHOXYPHENYL 4-CHLOROBENZOATE
FormulaC23 H18 Br Cl N2 O4
1Identification
【Name】
4-(2-(2-BROMOBENZOYL)CARBOHYDRAZONOYL)-2-ETHOXYPHENYL 4-CHLOROBENZOATE
【CAS】
【MDL】
MFCD06199614
【English Synonyms】
【Formula】
C23 H18 Br Cl N2 O4
【MolWeight】
501.762
【Inchi】
InChI=1S/C23H18BrClN2O4/c1-2-30-21-13-15(14-26-27-22(28)18-5-3-4-6-19(18)24)7-12-20(21)31-23(29)16-8-10-17(25)11-9-16/h3-14H,2H2,1H3,(H,27,28)/b26-14+
【InChIKey】
InChIKey=NONXMYMJIFPYHS-VULFUBBASA-N
【SMILES】
CCOc1cc(ccc1OC(=O)c2ccc(cc2)Cl)/C=N/NC(=O)c3ccccc3Br
【MOL File】
4-(2-(2-BROMOBENZOYL….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-(2-(2-BROMOBENZOYL)CARBOHYDRAZONOYL)-2-ETHOXYPHENYL 4-CHLOROBENZOATE.cml