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2-(2-chloro-6-fluorophenyl)-2-methylpropanenitrile

2-(2-chloro-6-fluorophenyl)-2-methylpropanenitrile

CAS: 149489-22-5

Formula: C10H9ClFN

SMILES: CC(C)(C#N)C1=C(Cl)C=CC=C1F

IUPAC: 2-(2-chloro-6-fluorophenyl)-2-methylpropanenitrile

InChI: InChI=1S/C10H9ClFN/c1-10(2,6-13)9-7(11)4-3-5-8(9)12/h3-5H,1-2H3

Composition: C (60.77%), H (4.59%), Cl (17.94%), F (9.61%), N (7.09%)

Molar Mass: 197.64

Atom Count: 22

Heavy Atom Count: 13

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 197.0407552
Formal Charge 0
FSP3 0.3
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 1
Hydrogen Bond Donor Count 0
InChIKey PABAEWIHVXBJPA-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 50.44
Topological Polar Surface Area 23.79
Polarizability 19.1
Ring Count 1
Rotatable Bond Count 1

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