3-(tert-Butyl)-5-cyanobenzoic acid

Catalog No. :
ACSOIZ361
CAS No. :
942077-12-5
Molecular Formula :
C12H13NO2
Molecular Weight :
203.24

IUPAC Name:3-(tert-butyl)-5-cyanobenzoic acid

3-(tert-Butyl)-5-cyanobenzoic acid structure diagram
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Product Information

Product Name3-(tert-Butyl)-5-cyanobenzoic acid
IUPAC Name3-(tert-butyl)-5-cyanobenzoic acid
Molecular FormulaC12H13NO2
Molecular Weight203.24
SMILESO=C(O)C1=CC(C#N)=CC(C(C)(C)C)=C1
InChI KeyXPKGPEUHQNUSRA-UHFFFAOYSA-N
Synonym3-CYANO-5-TERT-BUTYLBENZOIC ACID;3-tert-butyl-5-cyanobenzoic acid;Benzoic acid, 3-cyano-5-(1,1-dimethylethyl)-
CAS No.942077-12-5

Synthetic Route by SureRoute

1. ACSOIZ361 Molecular Building Block Synthetic Route

Source: SureRouteAuthor: aifchem

  1. reactant_1 route compound structure diagram
    --
  2. Then
  3. ACSOIZ361 route product structure diagram
    ACSOIZ361942077-12-5
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2. ACSOIZ361 Molecular Building Block Synthetic Route

Source: SureRouteAuthor: aifchem

  1. reactant_1 route compound structure diagram
    --
  2. Plus
  3. ACFXPJ467 route compound structure diagram
    ACFXPJ46713963-58-1 In Stock
  4. Then
  5. ACSOIZ361 route product structure diagram
    ACSOIZ361942077-12-5
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