ethyl 2-(3-cyano-4-fluorophenyl)-2-oxoacetate

ethyl 2-(3-cyano-4-fluorophenyl)-2-oxoacetate

Formula: C11H8FNO3

SMILES: CCOC(=O)C(=O)C1=CC(C#N)=C(F)C=C1

IUPAC: ethyl 2-(3-cyano-4-fluorophenyl)-2-oxoacetate

InChI: InChI=1S/C11H8FNO3/c1-2-16-11(15)10(14)7-3-4-9(12)8(5-7)6-13/h3-5H,2H2,1H3

Composition: C (59.73%), H (3.65%), F (8.59%), N (6.33%), O (21.70%)

Molar Mass: 221.187

Atom Count: 24

Heavy Atom Count: 16

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	221.048821285
Formal Charge	0
FSP3	0.18
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
InChIKey	QNJPUDZNWBSRKY-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	53.71
Topological Polar Surface Area	67.16
Polarizability	20.12
Ring Count	1
Rotatable Bond Count	4

Suppliers

Struchem co.,ltd

Supplier Profile

Purity	LeadTime	Formula	PacketSize	UnitPrice
95%	<5 Days	C11H8FNO3		$1,540.00-$2,860.00$1,540.00$1,760.00$2,860.00