1-(4-플루오로페닐)-2-옥소피롤리딘-3-카르복실산

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

HCID 4182007

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 618070-30-7
표준 SMILES: O=C(O)C1CCN(c2ccc(F)cc2)C1=O
InChIKey: GKKWONDBUXUCHF-UHFFFAOYSA-N
분자식: C11H10FNO3
평균 분자량: 223.2 g/mol
단동위원소 질량: 223.06447134

이름 및 식별자

우선 이름: 1-(4-Fluorophenyl)-2-oxo-3-pyrrolidinecarboxylic acid
IUPAC: 1-(4-fluorophenyl)-2-oxopyrrolidine-3-carboxylic acid
현지명: 1-(4-플루오로페닐)-2-옥소피롤리딘-3-카르복실산
영어명: 1-(4-Fluorophenyl)-2-oxopyrrolidine-3-carboxylic acid
분자식: C11H10FNO3
분자량: 223.2

이름 및 동의어

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

이름 더 보기

1-(4-플루오로페닐)-2-옥소피롤리딘-3-카르복실산OTAVA-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

데이터베이스 식별자

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

물성

구조 계산 물성

XLogP: 1.8
극성 표면적: 57.6 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 4
회전 가능 결합 수: 2
무거운 원자 수: 16
형식 전하: 0
복잡도: 300

물리화학적 성질

저장 조건: 2 · 2-8°C

안전 및 규제

GHS 분류

GHS Classification · 5건

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.