2-chloro-5-(2-oxopiperidin-1-yl)benzonitrile

2-chloro-5-(2-oxopiperidin-1-yl)benzonitrile

Formula: C12H11ClN2O

SMILES: ClC1=C(C=C(C=C1)N1CCCCC1=O)C#N

IUPAC: 2-chloro-5-(2-oxopiperidin-1-yl)benzonitrile

InChI: InChI=1S/C12H11ClN2O/c13-11-5-4-10(7-9(11)8-14)15-6-2-1-3-12(15)16/h4-5,7H,1-3,6H2

Composition: C (61.42%), H (4.72%), Cl (15.11%), N (11.94%), O (6.82%)

Molar Mass: 234.68

Atom Count: 27

Heavy Atom Count: 16

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	234.0559907
Formal Charge	0
FSP3	0.33
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
InChIKey	QWNODNRMHNJYMM-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	62.06
Topological Polar Surface Area	44.1
Polarizability	23.73
Ring Count	2
Rotatable Bond Count	1

Suppliers

Struchem co.,ltd

Supplier Profile

Purity	LeadTime	Formula	PacketSize	UnitPrice
95%	<5 Days	C12H11ClN2O		$840.00-$2,531.00$840.00$1,541.00$2,531.00