2-Cyano-3-(difluoromethoxy)-5-nitrobenzoic acid

Catalog No. :
ACDROQ853
CAS No. :
1805646-29-0
Molecular Formula :
C9H4F2N2O5
Molecular Weight :
258.14

IUPAC Name:2-cyano-3-(difluoromethoxy)-5-nitrobenzoic acid

2-Cyano-3-(difluoromethoxy)-5-nitrobenzoic acid structure diagram
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Product Information

Product Name2-Cyano-3-(difluoromethoxy)-5-nitrobenzoic acid
IUPAC Name2-cyano-3-(difluoromethoxy)-5-nitrobenzoic acid
Molecular FormulaC9H4F2N2O5
Molecular Weight258.14
SMILESO=C(O)C1=CC([N+]([O-])=O)=CC(OC(F)F)=C1C#N
InChI KeyGKBMIUPRFAMKET-UHFFFAOYSA-N
Synonym2-Cyano-3-difluoromethoxy-5-nitrobenzoic acid;Benzoic acid, 2-cyano-3-(difluoromethoxy)-5-nitro-
CAS No.1805646-29-0

Synthetic Route by SureRoute

1. ACDROQ853 Molecular Building Block Synthetic Route

Source: SureRouteAuthor: aifchem

  1. reactant_1 route compound structure diagram
    --
  2. Then
  3. ACDROQ853 route product structure diagram
    ACDROQ8531805646-29-0
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2. ACDROQ853 Molecular Building Block Synthetic Route

Source: SureRouteAuthor: aifchem

  1. reactant_1 route compound structure diagram
    --
  2. Plus
  3. reactant_2 route compound structure diagram
    --
  4. Then
  5. ACDROQ853 route product structure diagram
    ACDROQ8531805646-29-0
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