基本情報
- 標準SMILES
COC(=O)c1cc(-c2ccc(F)cc2F)ccc1O- InChIKey
QMPIMDAYFIIMIH-UHFFFAOYSA-N- 分子式
- C14H10F2O3
- 平均分子量
- 264.22 g/mol
名称と識別子
- 優先名称
- Methyl 2',4'-difluoro-4-hydroxy-[1,1'-biphenyl]-3-carboxylate
- IUPAC
- methyl 5-(2,4-difluorophenyl)-2-hydroxybenzoate
名称と別名
55544-00-8Methyl 2',4'-difluoro-4-hydroxy-[1,1'-biphenyl]-3-carboxylateDiflunisal Methyl EsterMFCD29079102SCHEMBL410760CHEMBL125722QMPIMDAYFIIMIH-UHFFFAOYSA-NMethyl 5-(2,4-difluorophenyl)salicylateH42892Methyl5-(2,4-difluorophenyl)-2-hydroxybenzoatemethyl 5-(2,4-difluorophenyl)-2-hydroxy-benzoatemethyl 2',4'-difluoro-4-hydroxybiphenyl-3-carboxylate
名称をさらに表示
Methyl-2',4'-difluoro-4-hydroxybiphenyl-3-carboxylate2', 4'-Difluoro-4-hydroxy-biphenyl-3-carboxylic acid methyl esterMethyl 2'',4''-Difluoro-4-hydroxy-[1,1''-biphenyl]-3-carboxylateDiflunisal Methyl Ester; 2',4'-Difluoro-4-hydroxy-[1,1'-biphenyl]-3-carboxylic acid methyl ester; Diflunisal methyl ester; Methyl 2',4'-difluoro-4-hydroxybiphenyl-3-carboxylate; Methyl 5-(2,4-difluorophenyl)salicylate
データベース識別子
- PubChem CID
- 491921
- ChEMBL
CHEMBL125722- Nikkaji
- J1.970.789J
物性
構造計算による物性
- XLogP
- 4.8
- 極性表面積
- 46.5 Ų
- 水素結合供与体数
- 1
- 水素結合受容体数
- 5
- 回転可能結合数
- 3
- 重原子数
- 19
- 形式電荷
- 0
- 複雑度
- 324
関連反応
12 件
化合物ノート
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