1-(2-Fluorophenyl)-2-oxo-3-pyrrolidinecarboxylic acid

HCID 4569153

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Basic information

CAS: 618070-32-9
Standard SMILES: O=C(O)C1CCN(c2ccccc2F)C1=O
InChIKey: WUHKWNJTHHFDNQ-UHFFFAOYSA-N
Molecular formula: C11H10FNO3
Average molar mass: 223.2 g/mol
Monoisotopic mass: 223.0644714

Names & identifiers

Preferred name: 1-(2-Fluorophenyl)-2-oxo-3-pyrrolidinecarboxylic acid
IUPAC: 1-(2-fluorophenyl)-2-oxopyrrolidine-3-carboxylic acid
English name: 1-(2-FLUOROPHENYL)-2-OXOPYRROLIDINE-3-CARBOXYLIC ACID
Molecular formula: C11H10FNO3
Molecular weight: 223.2

Names & synonyms

618070-32-91-(2-FLUOROPHENYL)-2-OXO-3-PYRROLIDINECARBOXYLIC ACIDRefChem:74152632-176-51-(2-fluorophenyl)-2-oxopyrrolidine-3-carboxylic acidSCHEMBL892631WUHKWNJTHHFDNQ-UHFFFAOYSA-NDTXSID601212529AKOS000164212AKOS022203212DB-131477ST51226102

Show more names

OTAVA-BB 1084279SALOR-INT L183016-1EA3-Pyrrolidinecarboxylic acid, 1-(2-fluorophenyl)-2-oxo-JR-6456, 1-(2-Fluorophenyl)-2-oxopyrrolidine-3-carboxylic acid, 97%

Database identifiers

CAS: 618070-32-9
PubChem CID: 4569153
DTXSID: DTXSID601212529
EC Number: 632-176-5

Properties

Computed structural properties

XLogP: 1.8
Topological polar surface area: 57.6 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 4
Rotatable bonds: 2
Heavy atoms: 16
Formal charge: 0
Complexity: 308

Physicochemical properties

Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 319 · H319-H335-H315
Precautionary statements: 264 · P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 39 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

Safety data

Signal word: Warning
Symbol(GHS): GHS07
Hazard statements: H319-H335-H315
Precautionary statements: P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362