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5-Fluoro-2-hydroxybenzoic acid

CAT: 0127-PC3756F-01Size: 5 gDry Ice: NoHazardous: No
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CAT#:0127-PC3756F-01Size:5 g
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CAS Number
345-16-4
Synonyms
5-Fluorosalicylic acid, 2-Carboxy-4-fluorophenol
MDL Number
MFCD00002456
Purity
97%
Smiles
OC(=O)c1cc(F)ccc1O

Chemical Information

5-Fluorosalicylic acid

structure given in first source; product from action of alkaline phosphatase on 5-fluorosalicyl phosphate; forms highly fluorescent terbium ternary complex

CAS Number345-16-4
PubChem CID67658
IUPAC Name5-fluoro-2-hydroxybenzoic acid
Molecular FormulaC7H5FO3
Molecular Weight156.11
XLogP2.6
Topological Polar Surface Area57.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count1
Heavy Atom Count11
Formal Charge0
Complexity160
SMILES
C1=CC(=C(C=C1F)C(=O)O)O
InChI
InChI=1S/C7H5FO3/c8-4-1-2-6(9)5(3-4)7(10)11/h1-3,9H,(H,10,11)
InChIKey
JWPRICQKUNODPZ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 5-Fluorosalicylic acid
CAS: 345-16-4
CID: 67658
Formula: C7H5FO3
MW: 156.11
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight156.11
XLogP32.6
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count1
Exact Mass156.02227218
Monoisotopic Mass156.02227218
Topological Polar Surface Area57.5 Ų
Heavy Atom Count11
Formal Charge0
Complexity160
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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