基本情報
- 標準SMILES
Cc1c(C(F)(F)F)cnn(-c2cc(O)c(Cl)cc2F)c1=O- InChIKey
INGLCBNUVJMQKR-UHFFFAOYSA-N- 分子式
- C12H7ClF4N2O2
- 平均分子量
- 322.64 g/mol
- 単同位体質量
- 322.01321802
名称と識別子
- 優先名称
- 2-(4-Chloro-2-fluoro-5-hydroxyphenyl)-4-methyl-5-(trifluoromethyl)-3(2H)-pyridazinone
- IUPAC
- 2-(4-chloro-2-fluoro-5-hydroxyphenyl)-4-methyl-5-(trifluoromethyl)pyridazin-3-one
名称と別名
188489-05-62-(4-Chloro-2-fluoro-5-hydroxyphenyl)-4-methyl-5-(trifluoromethyl)-3(2H)-pyridazinone2-[2-fluoro-4-chloro-5-hydroxyphenyl]4-methyl-5-trifluoromethylpyridazin-3-one2-(2-fluoro-4-chloro-5-hydroxyphenyl)-4-methyl-5-trifluoromethylpyridazin-3-one2-[2-fluoro-4-chloro-5-hydroxyphenyl]-4-methyl-5-trifluoromethylpyridazin-3-oneSCHEMBL4678151SCHEMBL8570147DTXSID3013516632-(2-fluoro-4-chloro-5-hydroxyphenyl)-4-methyl-5-trifluoromethylpyridazin-3-on2-(4-chloro-2-fluoro-5-hydroxyphenyl)-4-methyl-5-trifluoromethylpyridazin-3-one2-(4-chloro-2-fluoro-5-hydroxyphenyl)-4methyl-5-trifluoromethylpyridazin-3-one2-[2-fluoro-4-chloro-5-hydroxy-phenyl]-4-methyl-5-trifluoromethylpyridazin-3-one
名称をさらに表示
2-(4-chloro-2-fluoro-5-hydroxyphenyl)-4-methyl-5-trifluoromethyl-3-oxo-2,3-dihydropyridazine2a(4aChloroa2afluoroa5ahydroxyphenyl)a4amethyla5a (trifluoromethyl)a2,3adihydropyridazina3aone
データベース識別子
- PubChem CID
- 9949091
- DTXSID
DTXSID301351663- Nikkaji
- J2.093.538C
物性
構造計算による物性
- XLogP
- 2.7
- 極性表面積
- 52.9 Ų
- 水素結合供与体数
- 1
- 水素結合受容体数
- 7
- 回転可能結合数
- 1
- 重原子数
- 21
- 形式電荷
- 0
- 複雑度
- 506
関連反応
26 件
化合物ノート
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