3-acetoxy-6-broMoindole
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3-acetoxy-6-broMoindole
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CAS No:
114306-17-1
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Formula:
C10H8BrNO2
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Chemical Name:
3-acetoxy-6-broMoindole
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Synonyms:
6-Bromo-1H-indol-3-yl acetate;1H-Indol-3-ol, 6-bromo-, 3-acetate;(6-bromo-1H-indol-3-yl) acetate;SCHEMBL5530414;CTK8C2776;DTXSID60740632;2371AA;ANW-68985;ZINC85221858;AKOS016005943
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CAS No:
3-acetoxy-6-broMoindole Use and Manufacturing
Silver acetate (341 mg, 2.04 mmol) was added to a solution of monomer 2 in acetic acid(8 mL). After stirring for 3 h at 90 C, the mixture was cooled toroom temperature and filtered. The filtrate was evaporated todryness under reduced pressure. The residue was chromatographedon silica gel with dichloromethane as eluent to affordproduct 3 (yield: 254 mg, 63.0percent). 1H NMR (CDCl3, 600 MHz): 7.97 (s, 1H), 7.69 (d, 1H), 7.33 (d, 1H), 7.29 (m, 1H), 7.17 (m, 1H), 2.36 (s, 9H);13C NMR (CDCl3, 600 MHz): 168.65, 131.70, 129.82, 125.78, 121.61, 120.14, 114.64, 113.17, 112.90, 20.93.
Computed Properties
Molecular Weight:254.08
XLogP3:2.7
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:2
Exact Mass:252.97384
Monoisotopic Mass:252.97384
Topological Polar Surface Area:42.1
Heavy Atom Count:14
Complexity:234
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes