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The molecular formula of Ethyl (3-bromo-5-fluorobenzoyl) acetate is C11H10BrFO3.
The molecular weight of Ethyl (3-bromo-5-fluorobenzoyl) acetate is 289.10 g/mol.
The IUPAC name of Ethyl (3-bromo-5-fluorobenzoyl) acetate is ethyl 3-(3-bromo-5-fluorophenyl)-3-oxopropanoate.
The InChI of Ethyl (3-bromo-5-fluorobenzoyl) acetate is InChI=1S/C11H10BrFO3/c1-2-16-11(15)6-10(14)7-3-8(12)5-9(13)4-7/h3-5H,2,6H2,1H3.
The InChIKey of Ethyl (3-bromo-5-fluorobenzoyl) acetate is MDZMKRYNAOMODM-UHFFFAOYSA-N.
The canonical SMILES of Ethyl (3-bromo-5-fluorobenzoyl) acetate is CCOC(=O)CC(=O)C1=CC(=CC(=C1)Br)F.
The XLogP3 value of Ethyl (3-bromo-5-fluorobenzoyl) acetate is 2.7.
The hydrogen bond donor count of Ethyl (3-bromo-5-fluorobenzoyl) acetate is 0.
The hydrogen bond acceptor count of Ethyl (3-bromo-5-fluorobenzoyl) acetate is 4.
The topological polar surface area of Ethyl (3-bromo-5-fluorobenzoyl) acetate is 43.4Ų.
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1020058-49-4
102014-58-4
102-86-3
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