ML0001

[|JMOL view]

Compound Name: **5-fluorosalicylic acid** Common Names: IUPAC Name: 5-fluoro-2-hydroxy-benzoic acid

CAS RN: 345-16-4 SMILES: OC(=O)c1cc(F)ccc1O InChI=1/C7H5FO3/c8-4-1-2-6(9)5(3-4)7(10)11/h1-3,9H,(H,10,11) InChIKey: JWPRICQKUNODPZ-UHFFFAOYAE

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Molecular Formula: C7H5FO3 Molecular Weight (average): 156.1112 Molecular Weight (monisotopic): 156.02227 Melting point: 177-179 C LogP (ACD v5.0 logD calculated): 2.57 +/- 0.35 pKa (ACD v5.0 pKa calculated): 2.68 0.10 (COOH), 13.70 +/-0.18 (2-OH) Proton Affinity: Vapor pressure (ChemSpider calculated): 3.16E-04 mmHg at 25°C

//Spectral Information:// [|IR spectrum] ATR 1cm-1 resolution [|UV spectrum] 1 nm resolution in methanol [|UV spectrum] 1 nm resolution in acetonitrile [|SS-UV spectrum]1 nm resolution solid state diffuse reflectance measurement [|355nm MALDI Spectrum] 355nm Negative ion spectrum acquired on a Bruker Autoflex III [|355nm MALDI Spectrum] 355nm Positive ion spectrum acquired on a Bruker Autoflex III

//Sample Info:// Aldrich 98% PN: 15270-6 (lot #: 12708EZ)

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