1-(3-chloro-4-fluorophenyl)-5-oxopyrrolidine-3-carboxylic acid

1-(3-chloro-4-fluorophenyl)-5-oxopyrrolidine-3-carboxylic acid

CAS: 696647-51-5

Formula: C11H9ClFNO3

SMILES: OC(=O)C1CN(C(=O)C1)C1=CC(Cl)=C(F)C=C1

IUPAC: 1-(3-chloro-4-fluorophenyl)-5-oxopyrrolidine-3-carboxylic acid

InChI: InChI=1/C11H9ClFNO3/c12-8-4-7(1-2-9(8)13)14-5-6(11(16)17)3-10(14)15/h1-2,4,6H,3,5H2,(H,16,17)

Composition: C (51.28%), H (3.52%), Cl (13.76%), F (7.37%), N (5.44%), O (18.63%)

Molar Mass: 257.65

Atom Count: 26

Heavy Atom Count: 17

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	1
Exact Mass	257.025499
Formal Charge	0
FSP3	0.27
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
InChIKey	BMPMCEJUODXJTL-UHFFFAOYNA-N
Lipinski's Rule of Five	1
Molar Refractivity	58.04
Topological Polar Surface Area	57.61
Polarizability	22.3
Ring Count	2
Rotatable Bond Count	2

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