3-fluoro-4-(2-oxopiperidin-1-yl)benzonitrile

3-fluoro-4-(2-oxopiperidin-1-yl)benzonitrile

Formula: C12H11FN2O

SMILES: FC1=C(C=CC(=C1)C#N)N1CCCCC1=O

IUPAC: 3-fluoro-4-(2-oxopiperidin-1-yl)benzonitrile

InChI: InChI=1S/C12H11FN2O/c13-10-7-9(8-14)4-5-11(10)15-6-2-1-3-12(15)16/h4-5,7H,1-3,6H2

Composition: C (66.05%), H (5.08%), F (8.71%), N (12.84%), O (7.33%)

Molar Mass: 218.231

Atom Count: 27

Heavy Atom Count: 16

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	218.085541145
Formal Charge	0
FSP3	0.33
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
InChIKey	NEZLSSMGJJCEPY-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	57.47
Topological Polar Surface Area	44.1
Polarizability	21.53
Ring Count	2
Rotatable Bond Count	1

Suppliers

Struchem co.,ltd

Supplier Profile

Purity	LeadTime	Formula	PacketSize	UnitPrice
95%	<5 Days	C12H11FN2O		$900.00-$2,530.00$900.00$1,540.00$2,530.00