1H-Indole-3-carboxylic acid, 5-fluoro-


Chemical Name: 1H-Indole-3-carboxylic acid, 5-fluoro-
CAS Number: 23077-43-2
Product Number: AG002M5A(AGN-PC-01LRJV)
Synonyms:
MDL No:
Molecular Formula: C9H6FNO2
Molecular Weight: 179.1478

Identification/Properties


Properties
MP:
234-236℃ (decomp)
BP:
422.2°C at 760 mmHg
Storage:
Inert atmosphere;2-8℃;
Form:
Solid
Computed Properties
Molecular Weight:
179.15g/mol
XLogP3:
2.1
Hydrogen Bond Donor Count:
2
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
1
Exact Mass:
179.038g/mol
Monoisotopic Mass:
179.038g/mol
Topological Polar Surface Area:
53.1A^2
Heavy Atom Count:
13
Formal Charge:
0
Complexity:
222
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

Safety Information


NMR Spectrum


Other Analytical Data


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