5-플루오로-1-메틸-1H-인돌-3-카발데하이드

5-fluoro-1-methyl-1H-indole-3-carbaldehyde

HCID 1382009CAS 441715-30-6

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: Cn1cc(C=O)c2cc(F)ccc21
InChIKey: ZBZJEWSFESAGMQ-UHFFFAOYSA-N
분자식: C10H8FNO
평균 분자량: 177.17 g/mol
단동위원소 질량: 177.0589921

이름 및 식별자

우선 이름: 5-fluoro-1-methyl-1H-indole-3-carbaldehyde
IUPAC: 5-fluoro-1-methylindole-3-carbaldehyde
현지명: 5-플루오로-1-메틸-1H-인돌-3-카발데하이드
영어명: 5-Fluoro-1-methyl-1H-indole-3-carbaldehyde
분자식: C10H8FNO
분자량: 177.18

이름 및 동의어

5-Fluoro-1-methyl-1H-indole-3-carbaldehyde441715-30-6DTXSID10362540RefChem:303092DTXCID80313589852-732-25-fluoro-1-methylindole-3-carbaldehydeMFCD041140105-fluoro-1-methyl-1H-indole-3-carboxaldehyde1H-Indole-3-carboxaldehyde, 5-fluoro-1-methyl-MLS000718598SCHEMBL1092202

이름 더 보기

5-플루오로-1-메틸-1H-인돌-3-카발데하이드AKOS JY20833095-FLUORO-1-METHYLINDOLE-3-CARBOXALDEHYDE5-fluoro-1-methyl-1H-indole-3-carbaldehyde(SALTDATA: FREE)

CHEMBL1602196HMS2669N14ALBB-005049SBB013182STK501564AKOS000302667FF872415-fluoro-1-methyl-indole-3-carbaldehyde

데이터베이스 식별자

CAS: 441715-30-6
PubChem CID: 1382009
DTXSID: DTXSID10362540
ChEMBL: CHEMBL1602196
EC Number: 852-732-2
Nikkaji: J3.116.227K

물성

구조 계산 물성

XLogP: 1.6
극성 표면적: 22 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 2
회전 가능 결합 수: 1
무거운 원자 수: 13
형식 전하: 0
복잡도: 209

실험 및 물리화학적 성질

Solubility>26.6 [ug/mL] (The mean of the results at pH 7.4)

물리화학적 성질

저장 조건: 2 · 2-8°C, stored under nitrogen

안전 및 규제

GHS 분류

GHS Classification · 4건

Danger

H302 (50%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P305+P354+P338, P317, P319, P321, P330, 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.