3-(4-chlorobenzoyl)-3-azabicyclo[3.1.0]hexane-2-carboxylic acid

3-(4-chlorobenzoyl)-3-azabicyclo[3.1.0]hexane-2-carboxylic acid

CAS: 1009353-35-8

Formula: C13H12ClNO3

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

IUPAC: 3-(4-chlorobenzoyl)-3-azabicyclo[3.1.0]hexane-2-carboxylic acid

InChI: InChI=1/C13H12ClNO3/c14-9-3-1-7(2-4-9)12(16)15-6-8-5-10(8)11(15)13(17)18/h1-4,8,10-11H,5-6H2,(H,17,18)

Composition: C (58.77%), H (4.55%), Cl (13.34%), N (5.27%), O (18.06%)

Molar Mass: 265.69

Atom Count: 30

Heavy Atom Count: 18

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	3
Exact Mass	265.050571
Formal Charge	0
FSP3	0.38
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
InChIKey	WPDMRWXINIYZKY-UHFFFAOYNA-N
Lipinski's Rule of Five	1
Molar Refractivity	65.65
Topological Polar Surface Area	57.61
Polarizability	25.22
Ring Count	3
Rotatable Bond Count	2

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90%	<2 Days	1009353-35-8		$51.35-$86.31$51.35$63.37$86.31