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387-43-9

387-43-9 | 4-Fluoro-1H-indole

CAS No: 387-43-9 Catalog No: AG0037XJ MDL No:MFCD00055992 

Product Description

Catalog Number:
AG0037XJ
Chemical Name:
4-Fluoro-1H-indole
CAS Number:
387-43-9
Molecular Formula:
C8H6FN
Molecular Weight:
135.1383
MDL Number:
MFCD00055992 
IUPAC Name:
4-fluoro-1H-indole
InChI:
InChI=1S/C8H6FN/c9-7-2-1-3-8-6(7)4-5-10-8/h1-5,10H
InChI Key:
ZWKIJOPJWWZLDI-UHFFFAOYSA-N
SMILES:
Fc1cccc2c1cc[nH]2

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:
2.8  

Literature

Title Journal
Prediction of genotoxicity of chemical compounds by statistical learning methods. Chemical research in toxicology 20050601

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