5-(1,3-dioxan-2-yl)-2-fluorobenzonitrile

5-(1,3-dioxan-2-yl)-2-fluorobenzonitrile

CAS: 218301-23-6

Formula: C11H10FNO2

SMILES: FC1=C(C=C(C=C1)C1OCCCO1)C#N

IUPAC: 5-(1,3-dioxan-2-yl)-2-fluorobenzonitrile

InChI: InChI=1S/C11H10FNO2/c12-10-3-2-8(6-9(10)7-13)11-14-4-1-5-15-11/h2-3,6,11H,1,4-5H2

Composition: C (63.76%), H (4.86%), F (9.17%), N (6.76%), O (15.44%)

Molar Mass: 207.204

Atom Count: 25

Heavy Atom Count: 15

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	207.069556729
Formal Charge	0
FSP3	0.36
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
InChIKey	GSWHWJOQQXLUGU-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	52.24
Topological Polar Surface Area	42.25
Polarizability	19.89
Ring Count	2
Rotatable Bond Count	1

Suppliers

Key Organics Ltd

Supplier Profile

Purity	LeadTime	CAS	PacketSize	UnitPrice
95%	<2 Days	218301-23-6		$51.35-$180.26$51.35$63.37$86.31$113.62$180.26