Chem
J-GLOBAL ID：200907080018916219
Nikkaji number：J950.636E
(S)-α-Cyano-α-fluoro-4-methylbenzeneacetic acid
(S)-α-シアノ-α-フルオロ-4-メチルベンゼン酢酸
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： C10H8FNO2
Molecular formula furigana： C10-H8-F-N-O2
Molecular weight： 193.177
InChI：
InChI=1S/C10H8FNO2/c1-7-2-4-8(5-3-7)10(11,6-12)9(13)14/h2-5H,1H3,(H,13,14)/t10-/m1/s1
InChI key：
BHHPFCJVRMMJSZ-SNVBAGLBSA-N
SMILES：
Cc1ccc(cc1)[C@](F)(C#N)C(=O)O
Systematic name (5)：
- (αS)-α-シアノ-α-フルオロ-4-メチルベンゼン酢酸
- (S)-α-シアノ-α-フルオロ-4-メチルベンゼン酢酸
- (S)-α-フルオロ-α-シアノ-4-メチルベンゼン酢酸
- (2S)-2-シアノ-2-フルオロ-2-(4-メチルフェニル)酢酸
- (2S)-2-cyano-2-fluoro-2-(4-methylphenyl)acetic acid
- (αS)-α-Cyano-α-fluoro-4-methylbenzeneacetic acid
- (S)-α-Cyano-α-fluoro-4-methylbenzeneacetic acid
- (S)-α-Fluoro-α-cyano-4-methylbenzeneacetic acid
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