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443-73-2 | 5-Fluoroindole-3-acetic acid
CAS No: 443-73-2 Catalog No: AG003MRO MDL No:MFCD00056921
Product Description
Catalog Number:
AG003MRO
Chemical Name:
5-Fluoroindole-3-acetic acid
CAS Number:
443-73-2
Molecular Formula:
C10H8FNO2
Molecular Weight:
193.1744
MDL Number:
MFCD00056921
IUPAC Name:
2-(5-fluoro-1H-indol-3-yl)acetic acid
InChI:
InChI=1S/C10H8FNO2/c11-7-1-2-9-8(4-7)6(5-12-9)3-10(13)14/h1-2,4-5,12H,3H2,(H,13,14)
InChI Key:
GWLLOJBOPVNWNF-UHFFFAOYSA-N
SMILES:
OC(=O)Cc1c[nH]c2c1cc(F)cc2
EC Number:
207-138-2
NSC Number:
88616
Properties
Complexity:
234
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
193.054g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
193.177g/mol
Monoisotopic Mass:
193.054g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
53.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
Literature
| Title | Journal |
|---|---|
| Binding of ring-substituted indole-3-acetic acids to human serum albumin. | Bioorganic & medicinal chemistry 20070701 |
| Sensitive high-performance liquid chromatographic assay for D-amino-acid oxidase activity in mammalian tissues using a fluorescent non-natural substrate, 5-fluoro-D-tryptophan. | Journal of chromatography. A 20060217 |
| A 1H/19F minicoil NMR probe for solid-state NMR: application to 5-fluoroindoles. | Journal of magnetic resonance (San Diego, Calif. : 1997) 20060101 |
| Halogenated indole-3-acetic acids as oxidatively activated prodrugs with potential for targeted cancer therapy. | Bioorganic & medicinal chemistry letters 20020916 |
| Reactivity toward thiols and cytotoxicity of 3-methylene-2-oxindoles, cytotoxins from indole-3-acetic acids, on activation by peroxidases. | Chemical research in toxicology 20020601 |
| 5-Fluoroindole-3-acetic acid: a prodrug activated by a peroxidase with potential for use in targeted cancer therapy. | Biochemical pharmacology 20020115 |
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