7-(4-chloropyridin-3-yl)-7-oxoheptanenitrile

7-(4-chloropyridin-3-yl)-7-oxoheptanenitrile

CAS: 890100-90-0

Formula: C12H13ClN2O

SMILES: ClC1=CC=NC=C1C(=O)CCCCCC#N

IUPAC: 7-(4-chloropyridin-3-yl)-7-oxoheptanenitrile

InChI: InChI=1S/C12H13ClN2O/c13-11-6-8-15-9-10(11)12(16)5-3-1-2-4-7-14/h6,8-9H,1-5H2

Composition: C (60.89%), H (5.54%), Cl (14.98%), N (11.84%), O (6.76%)

Molar Mass: 236.7

Atom Count: 29

Heavy Atom Count: 16

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	236.0716407
Formal Charge	0
FSP3	0.42
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
InChIKey	HHNGRQZAEWHPRV-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	62.78
Topological Polar Surface Area	53.75
Polarizability	24.12
Ring Count	1
Rotatable Bond Count	6

Suppliers

AA BLOCKS INC

Supplier Profile

Purity	LeadTime	CAS	PacketSize	UnitPrice
97%	<6 Days	890100-90-0		$798.10-$2,342.55$798.10$1,177.60$2,342.55