1-(4-Fluorophenyl)-2-oxo-3-pyrrolidinecarboxylic acid

HCID 4182007

ノート反応

部分構造検索類似構造を探す

基本情報

CAS: 618070-30-7
標準SMILES: O=C(O)C1CCN(c2ccc(F)cc2)C1=O
InChIKey: GKKWONDBUXUCHF-UHFFFAOYSA-N
分子式: C11H10FNO3
平均分子量: 223.2 g/mol
単同位体質量: 223.06447134

名称と識別子

優先名称: 1-(4-Fluorophenyl)-2-oxo-3-pyrrolidinecarboxylic acid
IUPAC: 1-(4-fluorophenyl)-2-oxopyrrolidine-3-carboxylic acid
英語名: 1-(4-Fluorophenyl)-2-oxopyrrolidine-3-carboxylic acid
分子式: C11H10FNO3
分子量: 223.2

名称と別名

1-(4-FLUOROPHENYL)-2-OXO-3-PYRROLIDINECARBOXYLIC ACIDRefChem:4255251-(4-fluorophenyl)-2-oxopyrrolidine-3-carboxylic acid618070-30-7MFCD039328721-(4-fluorophenyl)-2-oxo-pyrrolidine-3-carboxylic Acid1-(4-Fluoro-phenyl)-2-oxo-pyrrolidine-3-carboxylic acid3-Pyrrolidinecarboxylic acid, 1-(4-fluorophenyl)-2-oxo-SCHEMBL1137236DTXSID10400395GKKWONDBUXUCHF-UHFFFAOYSA-NTZA07030

名称をさらに表示

OTAVA-BB 1084280SALOR-INT L182966-1EAJR-6451, 1-(4-Fluorophenyl)-2-oxopyrrolidine-3-carboxylic acid, 97%

AKOS000169261AKOS016843839AB90928DB-345294CS-0250925EN300-52782F832241-(4-fluorophenyl)-2-oxopyrrolidine-3-carboxylicacid

データベース識別子

CAS: 618070-30-7
PubChem CID: 4182007
DTXSID: DTXSID10400395
EC Number: 636-385-2

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: 300

物理化学的性質

貯蔵温度: 2 · 2-8°C

安全と法規制

GHS分類

GHS Classification · 5 件

Danger

H301 (97.5%): Toxic if swallowed [Danger Acute toxicity, oral]

P264, P270, P301+P316, P321, P330, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 40 reports by companies from 2 notifications to the ECHA C&L Inventory.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.