CAS 796071-90-4 (5-Fluoroindol-1-yl)acetic acid (HCID 45036900)

기본 정보

CAS: 796071-90-4
표준 SMILES: O=C(O)Cn1ccc2cc(F)ccc21
InChIKey: HWMIWHZKBNDAMQ-UHFFFAOYSA-N
분자식: C10H8FNO2
평균 분자량: 193.17 g/mol
단동위원소 질량: 193.05390666

이름 및 식별자

우선 이름: (5-Fluoroindol-1-yl)acetic acid
IUPAC: 2-(5-fluoroindol-1-yl)acetic acid
현지명: (5-FLUOROINDOL-1-YL)아세트산
영어명: (5-Fluoroindol-1-yl)acetic acid
분자식: C10H8FNO2
분자량: 193.17

이름 및 동의어

(5-Fluoroindol-1-yl)acetic acidRefChem:404042827-077-02-(5-Fluoro-1H-indol-1-yl)acetic acid796071-90-42-(5-fluoroindol-1-yl)acetic acidMFCD077820232-(5-Fluoro-1H-indol-1-yl)aceticacidSCHEMBL15763402-(5-fluoroindolyl)acetic acidDTXSID10661727HWMIWHZKBNDAMQ-UHFFFAOYSA-N

이름 더 보기

(5-FLUOROINDOL-1-YL)아세트산5-Fluoro-1H-indole-1-acetic acid1H-Indole-1-acetic acid, 5-fluoro-

SBB091561AKOS005362536(5-Fluoro-1H-indol-1-yl)acetic acidNCGC01445650-01AS-50004SY109799DB-001945CS-0256394

데이터베이스 식별자

CAS: 796071-90-4
PubChem CID: 45036900
DTXSID: DTXSID10661727
EC Number: 827-077-0

물성

구조 계산 물성

XLogP: 1.8
극성 표면적: 42.2 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 3
회전 가능 결합 수: 2
무거운 원자 수: 14
형식 전하: 0
복잡도: 234

물리화학적 성질

저장 조건: 2 · 2-8°C

안전 및 규제

GHS 분류

GHS Classification · 4건

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 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.