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3-(4-chloro-2-fluorophenyl)propanenitrile

3-(4-chloro-2-fluorophenyl)propanenitrile

CAS: 1057676-71-7

Formula: C9H7ClFN

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

IUPAC: 3-(4-chloro-2-fluorophenyl)propanenitrile

InChI: InChI=1S/C9H7ClFN/c10-8-4-3-7(2-1-5-12)9(11)6-8/h3-4,6H,1-2H2

Composition: C (58.87%), H (3.84%), Cl (19.31%), F (10.35%), N (7.63%)

Molar Mass: 183.61

Atom Count: 19

Heavy Atom Count: 12

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 183.0251051
Formal Charge 0
FSP3 0.22
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 1
Hydrogen Bond Donor Count 0
InChIKey LZDHSZRAELHBEV-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 45.97
Topological Polar Surface Area 23.79
Polarizability 17.27
Ring Count 1
Rotatable Bond Count 2

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