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

HCID 4569153CAS 618070-32-9

基本情報

標準SMILES: O=C(O)C1CCN(c2ccccc2F)C1=O
InChIKey: WUHKWNJTHHFDNQ-UHFFFAOYSA-N
分子式: C11H10FNO3
平均分子量: 223.2 g/mol
単同位体質量: 223.0644714

名称と識別子

優先名称: 1-(2-Fluorophenyl)-2-oxo-3-pyrrolidinecarboxylic acid
IUPAC: 1-(2-fluorophenyl)-2-oxopyrrolidine-3-carboxylic acid
英語名: 1-(2-FLUOROPHENYL)-2-OXOPYRROLIDINE-3-CARBOXYLIC ACID
分子式: C11H10FNO3
分子量: 223.2

名称と別名

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

名称をさらに表示

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

データベース識別子

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

物性

構造計算による物性

XLogP: 1.8
極性表面積: 57.6 Å²
水素結合供与体数: 1
水素結合受容体数: 4
回転可能結合数: 2
重原子数: 16
形式電荷: 0
複雑度: 308

安全と法規制

GHS分類

GHS Classification · 4 件

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.