Home Nitriles 6-Fluoro-1H-indole-5-carbonitrile

6-Fluoro-1H-indole-5-carbonitrile

CAS No.:
1427358-21-1
Catalog Number:
AG009YSK
Molecular Formula:
C9H5FN2
Molecular Weight:
160.1478
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Product Description
Catalog Number:
AG009YSK
Chemical Name:
6-Fluoro-1H-indole-5-carbonitrile
CAS Number:
1427358-21-1
Molecular Formula:
C9H5FN2
Molecular Weight:
160.1478
IUPAC Name:
6-fluoro-1H-indole-5-carbonitrile
InChI:
InChI=1S/C9H5FN2/c10-8-4-9-6(1-2-12-9)3-7(8)5-11/h1-4,12H
InChI Key:
HITOEBXXXWHQOR-UHFFFAOYSA-N
SMILES:
N#Cc1cc2cc[nH]c2cc1F
Properties
Complexity:
220  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
160.044g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
160.151g/mol
Monoisotopic Mass:
160.044g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
39.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9  
Properties