methyl 1-(4-fluorophenyl)-4-oxocyclohexane-1-carboxylate

methyl 1-(4-fluorophenyl)-4-oxocyclohexane-1-carboxylate

CAS: 80912-51-2

Formula: C14H15FO3

SMILES: COC(=O)C1(CCC(=O)CC1)C1=CC=C(F)C=C1

IUPAC: methyl 1-(4-fluorophenyl)-4-oxocyclohexane-1-carboxylate

InChI: InChI=1S/C14H15FO3/c1-18-13(17)14(8-6-12(16)7-9-14)10-2-4-11(15)5-3-10/h2-5H,6-9H2,1H3

Composition: C (67.19%), H (6.04%), F (7.59%), O (19.18%)

Molar Mass: 250.269

Atom Count: 33

Heavy Atom Count: 18

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	250.100522506
Formal Charge	0
FSP3	0.43
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
InChIKey	NCQFIBJQOZPYOI-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	64.07
Topological Polar Surface Area	43.37
Polarizability	24.87
Ring Count	2
Rotatable Bond Count	3

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Purity	LeadTime	CAS	PacketSize	UnitPrice
97%	<2 Days	80912-51-2		$51.35-$674.07$51.35$63.37$86.31$143.12$225.06$674.07