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399-51-9

399-51-9 | 6-Fluoro-1H-indole

CAS No: 399-51-9 Catalog No: AG0034CZ MDL No:MFCD00056933

Product Description

Catalog Number:
AG0034CZ
Chemical Name:
6-Fluoro-1H-indole
CAS Number:
399-51-9
Molecular Formula:
C8H6FN
Molecular Weight:
135.1383
MDL Number:
MFCD00056933
IUPAC Name:
6-fluoro-1H-indole
InChI:
InChI=1S/C8H6FN/c9-7-2-1-6-3-4-10-8(6)5-7/h1-5,10H
InChI Key:
YYFFEPUCAKVRJX-UHFFFAOYSA-N
SMILES:
Fc1ccc2c(c1)[nH]cc2
NSC Number:
520436

Properties

Complexity:
126  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
135.048g/mol
Formal Charge:
0
Heavy Atom Count:
10  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
135.141g/mol
Monoisotopic Mass:
135.048g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
15.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7  

Literature

Title Journal
Ionization potentials of fluoroindoles and the origin of nonexponential tryptophan fluorescence decay in proteins. Journal of the American Chemical Society 20050323
Generation of new protein kinase inhibitors utilizing cytochrome p450 mutant enzymes for indigoid synthesis. Journal of medicinal chemistry 20040603

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