Ethyl 4-chloro-8-(trifluoromethyl)quinoline-3-carboxylate

HCID 725465CAS 31602-11-6

基本情報

標準SMILES: CCOC(=O)c1cnc2c(C(F)(F)F)cccc2c1Cl
InChIKey: CIGIGQHDHKBPAZ-UHFFFAOYSA-N
分子式: C13H9ClF3NO2
平均分子量: 303.66 g/mol
単同位体質量: 303.0273907

名称と識別子

優先名称: Ethyl 4-chloro-8-(trifluoromethyl)quinoline-3-carboxylate
IUPAC: ethyl 4-chloro-8-(trifluoromethyl)quinoline-3-carboxylate
英語名: 4-Chloro-8-(trifluoromethyl)quinoline-3-carboxylic ethyl ester
分子式: C13H9ClF3NO2
分子量: 303.66

名称と別名

31602-11-6ethyl 4-chloro-8-(trifluoromethyl)quinoline-3-carboxylate4-chloro-8-(trifluoromethyl)quinoline-3-carboxylic acid ethyl ester4-Chloro-8-(trifluoromethyl)quinoline-3-carboxylic ethyl esterMFCD00173388ethyl 4-chloro-8-(trifluoromethyl)-3-quinolinecarboxylate4-chloro-8-(trifluoromethyl)-3-quinolinecarboxylic acid ethyl esterSCHEMBL1124642Ethyl4-chloro-8-(trifluoromethyl)quinoline-3-carboxylateDTXSID90352388HMS1694F214-Chloro-8-trifluoromethyl-quinoline-3-carboxylic acid ethyl ester

名称をさらに表示

4-chloro-8-(trifluoromethyl)quinoline-3-carboxylic acid3-Quinolinecarboxylic acid, 4-chloro-8-(trifluoromethyl)-, ethyl ester

AKOS000535020SB72417SY035691DB-068488CS-0061589ST501973096J-027W18392

データベース識別子

CAS: 31602-11-6
PubChem CID: 725465
DTXSID: DTXSID90352388

物性

構造計算による物性

XLogP: 3.9
極性表面積: 39.2 Å²
水素結合供与体数: 0
水素結合受容体数: 6
回転可能結合数: 3
重原子数: 20
形式電荷: 0
複雑度: 364

物理化学的性質

貯蔵温度: 2 · Storage temp. 2-8°C

安全と法規制

安全データ

hs_code: 2933499090
risk_code: 36
safety_code: 26

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