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1-(2-Fluorophenyl)-5-oxopyrrolidine-3-carboxylic acid - 98%, high purity , CAS No.1998-86-3

COA

Grade & Purity:

≥98%

Cas Number: 1998-86-3
Molecular Weight: 223.2
PubChem CID: 2926548

In stock

Item Number

F182533

Grouped product items
SKU	Size	Availability	Price	Qty
F182533-25g	25g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$1,566.90

Basic Description

Synonyms	1998-86-3 \| 1-(2-fluorophenyl)-5-oxopyrrolidine-3-carboxylic acid \| 1-(2-Fluoro-phenyl)-5-oxo-pyrrolidine-3-carboxylic acid \| MFCD01330894 \| 1-(2-Fluorophenyl)-5-oxo-3-pyrrolidinecarboxylic acid \| 3-Pyrrolidinecarboxylic acid, 1-(2-fluorophenyl)-5-oxo- \| Oprea1_04955
Specifications & Purity	≥98%
Storage Temp	Room temperature
Shipped In	Normal

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organoheterocyclic compounds
  - Class Pyrrolidines
    - Subclass Phenylpyrrolidines

Kingdom	Organic compounds
Superclass	Organoheterocyclic compounds
Class	Pyrrolidines
Subclass	Phenylpyrrolidines
Intermediate Tree Nodes	Not available
Direct Parent	Phenylpyrrolidines
Alternative Parents	Oxoprolines Pyrrolidine carboxylic acids Fluorobenzenes Aryl fluorides Pyrrolidine-2-ones Pyrroles Tertiary carboxylic acid amides Lactams Monocarboxylic acids and derivatives Carboxylic acids Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organofluorides Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework	Aromatic heteromonocyclic compounds
Substituents	1-phenylpyrrolidine - Pyrrolidine carboxylic acid or derivatives - Pyrrolidine carboxylic acid - Oxoproline - Fluorobenzene - Halobenzene - Aryl fluoride - Aryl halide - Monocyclic benzene moiety - Benzenoid - 2-pyrrolidone - Pyrrolidone - Tertiary carboxylic acid amide - Pyrrole - Carboxamide group - Lactam - Carboxylic acid derivative - Carboxylic acid - Azacycle - Monocarboxylic acid or derivatives - Organooxygen compound - Organic oxygen compound - Hydrocarbon derivative - Organic nitrogen compound - Organic oxide - Carbonyl group - Organopnictogen compound - Organohalogen compound - Organofluoride - Organonitrogen compound - Aromatic heteromonocyclic compound
Description	This compound belongs to the class of organic compounds known as phenylpyrrolidines. These are polycyclic aromatic compounds containing a benzene ring linked to a pyrrolidine ring through a CC or CN bond. Pyrrolidine is a five-membered saturated aliphatic heterocycle with one nitrogen atom and four carbon atoms.
External Descriptors	Not available
1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61. DOI: 10.1186/s13321-016-0174-y

Names and Identifiers

IUPAC Name	1-(2-fluorophenyl)-5-oxopyrrolidine-3-carboxylic acid
INCHI	InChI=1S/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)
InChIKey	SPNFIZUVZRKIQZ-UHFFFAOYSA-N
Smiles	C1C(CN(C1=O)C2=CC=CC=C2F)C(=O)O
Isomeric SMILES	C1C(CN(C1=O)C2=CC=CC=C2F)C(=O)O
Molecular Weight	223.2
Reaxy-Rn	11051380
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=11051380&ln=

Certificates（CoA,COO,BSE/TSE and Analysis Chart)

C of A & Other Certificates(BSE/TSE, COO):

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	223.200 g/mol
XLogP3	0.600
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	2
Exact Mass	223.064 Da
Monoisotopic Mass	223.064 Da
Topological Polar Surface Area	57.600 Å²
Heavy Atom Count	16
Formal Charge	0
Complexity	308.000
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
The total count of all stereochemical bonds	0
Covalently-Bonded Unit Count	1

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