1-(3-chloro-4-fluorophenyl)-5-oxopyrrolidine-3-carbonitrile

1-(3-chloro-4-fluorophenyl)-5-oxopyrrolidine-3-carbonitrile

CAS: 1017458-51-3

Formula: C11H8ClFN2O

SMILES: FC1=C(Cl)C=C(C=C1)N1CC(CC1=O)C#N

IUPAC: 1-(3-chloro-4-fluorophenyl)-5-oxopyrrolidine-3-carbonitrile

InChI: InChI=1/C11H8ClFN2O/c12-9-4-8(1-2-10(9)13)15-6-7(5-14)3-11(15)16/h1-2,4,7H,3,6H2

Composition: C (55.36%), H (3.38%), Cl (14.85%), F (7.96%), N (11.74%), O (6.70%)

Molar Mass: 238.65

Atom Count: 24

Heavy Atom Count: 16

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	1
Exact Mass	238.0309187
Formal Charge	0
FSP3	0.27
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
InChIKey	LGPAFAXFONLPFD-UHFFFAOYNA-N
Lipinski's Rule of Five	1
Molar Refractivity	57.02
Topological Polar Surface Area	44.1
Polarizability	21.53
Ring Count	2
Rotatable Bond Count	1

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90%	<2 Days	1017458-51-3		$51.35-$86.31$51.35$63.37$86.31