3-(2-fluorobenzoyl)-3-azabicyclo[3.1.0]hexane-2-carboxylic acid

3-(2-fluorobenzoyl)-3-azabicyclo[3.1.0]hexane-2-carboxylic acid

CAS: 1173667-00-9

Formula: C13H12FNO3

SMILES: OC(=O)C1C2CC2CN1C(=O)C1=C(F)C=CC=C1

IUPAC: 3-(2-fluorobenzoyl)-3-azabicyclo[3.1.0]hexane-2-carboxylic acid

InChI: InChI=1/C13H12FNO3/c14-10-4-2-1-3-8(10)12(16)15-6-7-5-9(7)11(15)13(17)18/h1-4,7,9,11H,5-6H2,(H,17,18)

Composition: C (62.65%), H (4.85%), F (7.62%), N (5.62%), O (19.26%)

Molar Mass: 249.241

Atom Count: 30

Heavy Atom Count: 18

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	3
Exact Mass	249.080121413
Formal Charge	0
FSP3	0.38
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
InChIKey	BVVKPJIGNVJQBD-UHFFFAOYNA-N
Lipinski's Rule of Five	1
Molar Refractivity	61.06
Topological Polar Surface Area	57.61
Polarizability	23.05
Ring Count	3
Rotatable Bond Count	2

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Purity	LeadTime	CAS	PacketSize	UnitPrice
90%	<2 Days	1173667-00-9		$51.35-$86.31$51.35$63.37$86.31