RARECHEMALBF0302
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RARECHEMALBF0302
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CAS No:
4068-71-7
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Formula:
C8H6BrClO3
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Chemical Name:
RARECHEMALBF0302
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Synonyms:
METHYL 3-BROMO-5-CHLORO-2-HYDROXYBENZOATE;SCHEMBL3203329;DTXSID70697527;5530AB;ZINC44199500;AKOS016010690;KS-00000R17;AK119552;SC-49131;TS-03490
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CAS No:
RARECHEMALBF0302 Use and Manufacturing
(D14)Methyl 3-bromo-5-chloro-2-hvdroxybenzoateNBS (47.76 g) added to a stirred solution of methyl-5-chloro-salicylate (50.02 g) in DMF (500 ml) at rt, stirred overnight. Solid collected by filtration. Further solid formed when product was dried (air-flow) on sinter. Solid was collected. Filtrate was diluted with EtDescription 9aMethyl S-bromo-δ-chloro^-hydroxybenzoate (D9a)Solution of methyl-5-chlorosalicylate (1.50 g, 8.06 mmol) in dry DMF (16.0 ml) was stirred at room temperature under an atmosphere of argon. N-bromosuccinimide (1.497 g, 8.46 mmol) was added and the solution stirred for 20 hours at room temperature. After this time LC/MS was consitent with product. Solution was diluted with EtOAc and washed with water (* 3). Organics were dried over MgSOb) Methyl 5-chloro-2-methylbenzofuran-7-carboxylate Into a 80-mL tube was placed
Computed Properties
Molecular Weight:265.49
XLogP3:3.3
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:2
Exact Mass:263.91888
Monoisotopic Mass:263.91888
Topological Polar Surface Area:46.5
Heavy Atom Count:13
Complexity:200
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes