4-broMo-3-(hydroxyMethyl)benzoic acid
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4-broMo-3-(hydroxyMethyl)benzoic acid
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CAS No:
790230-04-5
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Formula:
C8H7BrO3
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Chemical Name:
4-broMo-3-(hydroxyMethyl)benzoic acid
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Synonyms:
4-bromo-3-(hydroxymethyl)benzoic acid;SCHEMBL976882;KS-00000RDD;DTXSID60704390;2357AC;ZINC71260702;AKOS015924449;CS-W022098;AK-93326;DS-17819
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CAS No:
4-broMo-3-(hydroxyMethyl)benzoic acid Basic Attributes
231.04338
229.95800
DTXSID60704390
2918199090
4-broMo-3-(hydroxyMethyl)benzoic acid Use and Manufacturing
b) 4-bromo-3-(hydroxymethyl)benzoic acidA solution of lithium hydroxide monohydrate (2.278 g, 54.3 mmol) in water (12 mL) was added to a solution of methyl 3-(acetoxymethyl)-4-bromobenzoate (3.89 g, 13.55 mmol) in tetrahydrofuran (40 mL) and the mixture was stirred at room temperature over night. The pH was set to ~1 with hydrochloric acid (2 M). Water and ethyl acetate was added and the aqueous phase was extracted with ethyl acetate. The combined organic phases were washed with water and brine, dried over magnesium sulfate and concentrated to give 3.06 g (98percent yield) of the title compound.
Computed Properties
Molecular Weight:231.04
XLogP3:1.3
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:2
Exact Mass:229.95786
Monoisotopic Mass:229.95786
Topological Polar Surface Area:57.5
Heavy Atom Count:12
Complexity:172
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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4-broMo-3-(hydroxyMethyl)benzoic acid
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