3-broMo-5-fluoro-4-hydroxybenzaldehyde
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3-broMo-5-fluoro-4-hydroxybenzaldehyde
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CAS No:
185345-46-4
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Formula:
C7H4BrFO2
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Chemical Name:
3-broMo-5-fluoro-4-hydroxybenzaldehyde
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Synonyms:
3-Bromo-5-fluoro-4-hydroxybenzaldehyde;SCHEMBL987816;CTK8B6154;DTXSID10595694;KS-00000Q2I;ANW-52865;CL8306;ZINC60191706;AKOS015999917;AK-94381
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CAS No:
3-broMo-5-fluoro-4-hydroxybenzaldehyde Basic Attributes
219.0078632
217.93800
DTXSID10595694
2913000090
3-broMo-5-fluoro-4-hydroxybenzaldehyde Use and Manufacturing
General procedure: a mixture of substrate 1a(1 mmol), cobalt salt (nIntermediate 26. 3-bromo-5-fluoro-4-hydroxybenzaldehyde (26)26; [0198] To a solution of 3-fluoro-4-hydroxybenzaldehyde (2 g, 14.3 mmol, 1 eq, Oakwood Products, Inc., West Columbia, SC, USA) in acetic acid (60 mL), was added a solution of bromine(2.7 g, 17.0 mmol, 1.2 eq) in acetic acid(10 mL), and the mixture was stirred at 45 °C for 26 h. After concentration in vacuo, brine (50 mL) was added to the residue and the mixture was extracted with EtOAc(3 X 80 mL). The combined organic layers were dried (NaIntermediate 12: 3-bromo-5-fluoro-4-hydroxybenzaldehyde (12)12[0157] To a solution of 3-fluoro-4-hydroxybenzaldehyde (2 g, 14.3 mmol, 1 eq) in acetic acid (60 mL), was added a solution of bromine(2.7 g, 17.0 mmol, 1.2 eq) in acetic acid(10 mL), and the mixture was stirred at 45 °C for 26h. After concentration in vacuo, brine (50 mL) was added to the residue and the mixture was extracted with EtOAc(3 X 80 mL). The combined organic layers were dried (Na
Computed Properties
Molecular Weight:219.01
XLogP3:1.8
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:1
Exact Mass:217.93787
Monoisotopic Mass:217.93787
Topological Polar Surface Area:37.3
Heavy Atom Count:11
Complexity:153
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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3-broMo-5-fluoro-4-hydroxybenzaldehyde
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