Chem
J-GLOBAL ID：201507017885282405
Nikkaji number：J3.454.773D
3-(4-(Trifluoromethyl)phenyl)-5-chloroisoquinoline-1(2H)-one
3-(4-(トリフルオロメチル)フェニル)-5-クロロイソキノリン-1(2H)-オン
Substance type
Substance type classified into 3 categories.
Decided structure: Substances with a clear structure
Undicided Structure: Substances with unknown or undetermined structure
Mixtures: Mixtures, racemic compounds, or compounds with relative structural arrangements
Decided structure
Substance type classified into 3 categories.
Decided structure: Substances with a clear structure
Undicided Structure: Substances with unknown or undetermined structure
Mixtures: Mixtures, racemic compounds, or compounds with relative structural arrangements
Molecular formula： C16H9ClF3NO
Molecular formula furigana： C16-H9-CL-F3-N-O
Molecular weight： 323.700
InChI：
InChI=1S/C16H9ClF3NO/c17-13-3-1-2-11-12(13)8-14(21-15(11)22)9-4-6-10(7-5-9)16(18,19)20/h1-8H,(H,21,22)
InChI key：
PSAPXCDMAWQOJF-UHFFFAOYSA-N
SMILES：
FC(F)(F)c1ccc(cc1)c1cc2c(Cl)cccc2c(=O)[nH]1
Systematic name (3)：
- 3-(4-(トリフルオロメチル)フェニル)-5-クロロイソキノリン-1(2H)-オン
- 5-クロロ-3-[4-(トリフルオロメチル)フェニル]-1,2-ジヒドロイソキノリン-1-オン
- 5-chloro-3-[4-(trifluoromethyl)phenyl]-1,2-dihydroisoquinolin-1-one
- 3-(4-(Trifluoromethyl)phenyl)-5-chloroisoquinoline-1(2H)-one
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