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3-(3-fluorophenyl)propanenitrile

3-(3-fluorophenyl)propanenitrile

CAS: 25468-87-5

Formula: C9H8FN

SMILES: FC1=CC(CCC#N)=CC=C1

IUPAC: 3-(3-fluorophenyl)propanenitrile

InChI: InChI=1S/C9H8FN/c10-9-5-1-3-8(7-9)4-2-6-11/h1,3,5,7H,2,4H2

Composition: C (72.47%), H (5.41%), F (12.74%), N (9.39%)

Molar Mass: 149.168

Atom Count: 19

Heavy Atom Count: 11

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 149.064077425
Formal Charge 0
FSP3 0.22
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 1
Hydrogen Bond Donor Count 0
InChIKey HSQZIMFMEVQRMO-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 41.16
Topological Polar Surface Area 23.79
Polarizability 15.35
Ring Count 1
Rotatable Bond Count 2

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90% <2 Days 25468-87-5 $51.35-$86.31$51.35$63.37$86.31
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