5-fluoro-2,3-dihydro-1-benzofuran-7-carboxylic acid - ≥97% , CAS No.1197231-40-5

CAS: 1197231-40-5 Cat. No.: F627274 Molecular Weight: 182.15 PubChem CID: 84014045

GRADE & PURITY ≥97%

Synonyms

1197231-40-5 | 5-Fluoro-2,3-dihydro-1-benzofuran-7-carboxylic acid | 5-Fluoro-2,3-dihydrobenzofuran-7-carboxylic acid | MFCD28134077 | AS-77715 | 5-Fluoro-2,3-dihydrobenzofuran-7-carboxylicacid | 5-Fluoro-2,3-dihydro-1-benzofuran-7-carboxylicacid

Storage

Room temperature

Shipped In

Normal

Specifications

Synonyms

1197231-40-5 | 5-Fluoro-2, 3-dihydro-1-benzofuran-7-carboxylic acid | 5-Fluoro-2, 3-dihydrobenzofuran-7-carboxylic acid | MFCD28134077 | AS-77715 | 5-Fluoro-2, 3-dihydrobenzofuran-7-carboxylicacid | 5-Fluoro-2, 3-dihydro-1-benzofuran-7-carboxylicacid

Specifications & Purity

≥97%

Storage

Room temperature

Shipped In

Normal

Purity

≥97%

Names and Identifiers

• Canonical Smiles: C1COC2=C1C=C(C=C2C(=O)O)F
• IUPAC Name: 5-fluoro-2,3-dihydro-1-benzofuran-7-carboxylic acid
• InChIKey: FTBRWBNXIVWAKM-UHFFFAOYSA-N
• INCHI: 1S/C9H7FO3/c10-6-3-5-1-2-13-8(5)7(4-6)9(11)12/h3-4H,1-2H2,(H,11,12)
• Isomeric SMILES: C1COC2=C1C=C(C=C2C(=O)O)F
• PubChem CID: 84014045
• Molecular Weight: 182.15

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Class Benzene and substituted derivatives
      • Subclass Benzoic acids and derivatives
        • Level5 Halobenzoic acids and derivatives
          • Level6 Halobenzoic acids

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: Benzene and substituted derivatives
• Subclass: Benzoic acids and derivatives
• Intermediate Tree Nodes: Halobenzoic acids and derivatives
• Direct Parent: Halobenzoic acids
• Alternative Parents: 3-halobenzoic acids Coumarans Alkyl aryl ethers Aryl fluorides Oxacyclic compounds Carboxylic acids Organofluorides Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: 3-halobenzoic acid or derivatives - 3-halobenzoic acid - Halobenzoic acid - Coumaran - Alkyl aryl ether - Aryl fluoride - Aryl halide - Carboxylic acid derivative - Carboxylic acid - Ether - Oxacycle - Organoheterocyclic compound - Organic oxide - Organohalogen compound - Organofluoride - Organooxygen compound - Hydrocarbon derivative - Organic oxygen compound - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as halobenzoic acids. These are benzoic acids carrying a halogen atom on the benzene ring.
• External Descriptors: Not available

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y