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4-fluoro-1-benzothiophene-7-carbonitrile

4-fluoro-1-benzothiophene-7-carbonitrile

CAS: 664364-72-1

Formula: C9H4FNS

SMILES: FC1=C2C=CSC2=C(C=C1)C#N

IUPAC: 4-fluoro-1-benzothiophene-7-carbonitrile

InChI: InChI=1S/C9H4FNS/c10-8-2-1-6(5-11)9-7(8)3-4-12-9/h1-4H

Composition: C (61.01%), H (2.28%), F (10.72%), N (7.90%), S (18.09%)

Molar Mass: 177.2

Atom Count: 16

Heavy Atom Count: 12

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 177.00484847
Formal Charge 0
FSP3 0
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 1
Hydrogen Bond Donor Count 0
InChIKey HUXDVYLMXJTGTK-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 45.34
Topological Polar Surface Area 23.79
Polarizability 17.98
Ring Count 2
Rotatable Bond Count 0

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