1-(4-Fluorobenzoyl)pyrrolidine-2-carboxylic acid

HCID 12367684CAS 2098813-19-3

基本情報

標準SMILES: O=C(O)C1CCCN1C(=O)c1ccc(F)cc1
InChIKey: LTUZWGRJHXDJQU-UHFFFAOYSA-N
分子式: C12H12FNO3
平均分子量: 237.23 g/mol

名称と識別子

優先名称: 1-(4-Fluorobenzoyl)pyrrolidine-2-carboxylic acid
IUPAC: 1-(4-fluorobenzoyl)pyrrolidine-2-carboxylic acid

名称と別名

1-(4-fluorobenzoyl)pyrrolidine-2-carboxylic acid2098813-19-3RefChem:425477899-284-41-(4-Fluorobenzoyl)prolineMFCD08444927proline, 1-(4-fluorobenzoyl)-1-[(4-fluorophenyl)carbonyl]prolineSCHEMBL6290807LTUZWGRJHXDJQU-UHFFFAOYSA-NALBB-029736STL140384

名称をさらに表示

AKOS000131283AKOS017271984AB88889LS-10600EN300-86808G209441-(4-fluorobenzoyl)pyrrolidine-2-carboxylicacidZ85890944

データベース識別子

CAS: 2098813-19-3
PubChem CID: 12367684
EC Number: 899-284-4

物性

構造計算による物性

XLogP: 1.2
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: 17
形式電荷: 0
複雑度: 313

安全と法規制

GHS分類

GHS Classification · 4 件

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

危険有害性情報

Hazard Classes and CategoriesAcute Tox. 4 (100%)