Chem
J-GLOBAL ID：201007040455285502   Nikkaji number：J2.822.419B

2-Iodobenzeneacetic acid (S)-α-methyl-2-bromobenzyl ester

2-ヨードベンゼン酢酸(S)-α-メチル-2-ブロモベンジル
Substance type：
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
Molecular formula： C16H14BrIO2
Molecular formula furigana： C16-H14-BR-I-O2
Molecular weight： 445.094
InChI： InChI=1S/C16H14BrIO2/c1-11(13-7-3-4-8-14(13)17)20-16(19)10-12-6-2-5-9-15(12)18/h2-9,11H,10H2,1H3/t11-/m0/s1
InChI key： OBFOXZQBKFFOQN-NSHDSACASA-N
SMILES： C[C@H](OC(=O)Cc1ccccc1I)c1ccccc1Br
Systematic name  (3)：
  • 2-ヨードベンゼン酢酸(S)-α-メチル-2-ブロモベンジル
  • (1S)-1-(2-ブロモフェニル)エチル 2-(2-ヨードフェニル)アセタート
  • (1S)-1-(2-bromophenyl)ethyl 2-(2-iodophenyl)acetate
Other name (1)：
  • 2-Iodobenzeneacetic acid (S)-α-methyl-2-bromobenzyl ester
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