Home Nitriles 1H-Indole-7-carbonitrile,4-fluoro-(9CI)

1H-Indole-7-carbonitrile,4-fluoro-(9CI)

CAS No.:
313337-33-6
Catalog Number:
AG00CLMB
Molecular Formula:
C9H5FN2
Molecular Weight:
160.1478
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Product Description
Catalog Number:
AG00CLMB
Chemical Name:
1H-Indole-7-carbonitrile,4-fluoro-(9CI)
CAS Number:
313337-33-6
Molecular Formula:
C9H5FN2
Molecular Weight:
160.1478
MDL Number:
MFCD11845597
IUPAC Name:
4-fluoro-1H-indole-7-carbonitrile
InChI:
InChI=1S/C9H5FN2/c10-8-2-1-6(5-11)9-7(8)3-4-12-9/h1-4,12H
InChI Key:
OHNJUDBFNBBWHU-UHFFFAOYSA-N
SMILES:
N#Cc1ccc(c2c1[nH]cc2)F
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