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基本情報
- CAS
84478-42-2- 標準SMILES
C#CCOc1cc(N2C(=O)C3=C(CCCC3)C2=O)c(F)cc1Cl- InChIKey
QAWLSTWQUFLACC-UHFFFAOYSA-N- 分子式
- C17H13ClFNO3
- 平均分子量
- 333.7 g/mol
- 単同位体質量
- 333.05679918
概要
S-23142 is a member of the class of phthalimides that is phthalimide in which the nitrogen has been substituted by a 4-chloro-2-fluoro-5-(prop-2-yn-1-yloxy)phenyl group. It is used as a herbicide. It has a role as a herbicide and an EC 1.3.3.4 (protoporphyrinogen oxidase) inhibitor. It is an aromatic ether, a member of maleimides, a terminal acetylenic compound, a member of phthalimides, a member of monochlorobenzenes and a member of monofluorobenzenes.
名称と識別子
- 優先名称
- 1H-Isoindole-1,3(2H)-dione, 2-(4-chloro-2-fluoro-5-(2-propynyloxy)phenyl)-4,5,6,7-tetrahydro-
- IUPAC
- 2-(4-chloro-2-fluoro-5-prop-2-ynoxyphenyl)-4,5,6,7-tetrahydroisoindole-1,3-dione
名称と別名
84478-42-21H-Isoindole-1,3(2H)-dione, 2-(4-chloro-2-fluoro-5-(2-propynyloxy)phenyl)-4,5,6,7-tetrahydro-2-(4-Chloro-2-fluoro-5-(2-propynyloxy)phenyl)-4,5,6,7-tetrahydro-1H-isoindole-1,3(2H)-dioneDTXSID60233458RefChem:239320DTXCID60155949n-(4-chloro-2-fluoro-5-propargyloxyphenyl)-3,4,5,6-tetrahydrophthalimide2-(4-Chloro-2-fluoro-5-(prop-2-yn-1-yloxy)phenyl)-4,5,6,7-tetrahydro-1H-isoindole-1,3(2H)-dione2-[4-chloro-2-fluoro-5-(prop-2-yn-1-yloxy)phenyl]-4,5,6,7-tetrahydro-1H-isoindole-1,3(2H)-dioneS-23142SCHEMBL314005CHEMBL2269734
名称をさらに表示
SCHEMBL29448833CHEBI:231817QAWLSTWQUFLACC-UHFFFAOYSA-Ns23142S 23142N-[4-chloro-2-fluoro-5-propargyloxy]phenyl-3,4,5,6-tetrahydrophthalimideN-[4-chloro-2-fluoro-5-propargyloxyphenyl]-3 ,4,5,6-tetrahydrophthalimideN-[4-chloro-2-fluoro-5-(2-propynyloxy)phenyl]-3,4,5,6-tetrahydrophthalimide
データベース識別子
- CAS
84478-42-2
物性
構造計算による物性補完中
- XLogP
- 3.2
- 極性表面積
- 46.6 Ų
- 水素結合供与体数
- 0
- 水素結合受容体数
- 4
- 回転可能結合数
- 3
- 重原子数
- 23
- 形式電荷
- 0
- 複雑度
- 580
関連反応
8 件
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