Methyl (5-chloro-2-methoxyphenyl)(fluoro)[2-nitro-4-(trifluoromethyl)phenyl]acetate
基本情報
- 標準SMILES
COC(=O)C(F)(c1cc(Cl)ccc1OC)c1ccc(C(F)(F)F)cc1[N+](=O)[O-]- InChIKey
NRAVOLAZWNNNQP-UHFFFAOYSA-N- 分子式
- C17H12ClF4NO5
- 平均分子量
- 421.7 g/mol
名称と識別子
- 優先名称
- Methyl (5-chloro-2-methoxyphenyl)(fluoro)[2-nitro-4-(trifluoromethyl)phenyl]acetate
- IUPAC
- methyl 2-(5-chloro-2-methoxyphenyl)-2-fluoro-2-[2-nitro-4-(trifluoromethyl)phenyl]acetate
名称と別名
methyl (5-chloro-2-methoxyphenyl)(fluoro)[2-nitro-4-(trifluoromethyl)phenyl]acetatemethyl 2-(5-chloro-2-methoxyphenyl)-2-fluoro-2-[2-nitro-4-(trifluoromethyl)phenyl]acetatemethyl 2-(5-chloro-2-methoxyphenyl)-2-fluoro-2-(2-nitro-4-(trifluoromethyl)phenyl)acetateSTK776348AKOS005618216ST084145methyl 2-(5-chloro-2-methoxyphenyl)-2-fluoro-2-[2-nitro-4-(trifluoromethyl)phe nyl]acetate206194-00-55-Chloro-a-fluoro-2-methoxy-alpha-[2-nitro-4-(trifluoromethyl)-phenyl]benzeneacetic acid, methyl ester5-chloro-alpha-fluoro-2-methoxy-alpha-[2-nitro-4-(trifluoromethyl)-phenyl]benzeneacetic acid, methyl ester5-chloro-alpha-fluoro-2-methoxy-alpha-[2-nitro-4-(trifluoromethyl)phenyl]benzeneacetic acid, methyl ester
データベース識別子
- PubChem CID
- 4917385
物性
構造計算による物性
- XLogP
- 5
- 極性表面積
- 81.4 Ų
- 水素結合供与体数
- 0
- 水素結合受容体数
- 9
- 回転可能結合数
- 5
- 重原子数
- 28
- 形式電荷
- 0
- 複雑度
- 587
関連反応
4 件
化合物ノート
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