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1-(2-fluorophenyl)-5-oxopyrrolidine-3-carboxylic acid

1-(2-fluorophenyl)-5-oxopyrrolidine-3-carboxylic acid

CAS: 1998-86-3

Formula: C11H10FNO3

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

IUPAC: 1-(2-fluorophenyl)-5-oxopyrrolidine-3-carboxylic acid

InChI: InChI=1/C11H10FNO3/c12-8-3-1-2-4-9(8)13-6-7(11(15)16)5-10(13)14/h1-4,7H,5-6H2,(H,15,16)

Composition: C (59.19%), H (4.52%), F (8.51%), N (6.28%), O (21.50%)

Molar Mass: 223.203

Atom Count: 26

Heavy Atom Count: 16

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 1
Exact Mass 223.064471349
Formal Charge 0
FSP3 0.27
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 1
InChIKey SPNFIZUVZRKIQZ-UHFFFAOYNA-N
Lipinski's Rule of Five 1
Molar Refractivity 53.23
Topological Polar Surface Area 57.61
Polarizability 20.31
Ring Count 2
Rotatable Bond Count 2

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95% <7 Days 1998-86-3 $231.84-$919.08$231.84$919.08
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95% <6 Days 1998-86-3 $197.80-$787.75$197.80$787.75
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95% <4 Days 1998-86-3 $177.10-$708.40$177.10$708.40
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