4-(4-Chlorophenyl)-5,7-dihydroxy-2-chromanone - ≥90% , CAS No.338417-72-4

CAS: 338417-72-4 Cat. No.: C1252308 Fórmula: C₁₅H₁₁ClO₄ Peso molecular: 290.7 PubChem CID: 3774818

GRADE & PURITY ≥90%

Storage

Room temperature

Shipped In

Normal

Specifications

Especificações e pureza

≥90%

Condições de armazenamento de armazenamento

Room temperature

Enviado em

Normal

Pureza

≥90%

Nomes e identificadores

• Sorrisos canónicos: C1C(C2=C(C=C(C=C2OC1=O)O)O)C3=CC=C(C=C3)Cl
• IUPAC Name: 4-(4-chlorophenyl)-5,7-dihydroxy-3,4-dihydrochromen-2-one
• InChIKey: PGQLWUARJSRWOT-UHFFFAOYSA-N
• INCHI: 1S/C15H11ClO4/c16-9-3-1-8(2-4-9)11-7-14(19)20-13-6-10(17)5-12(18)15(11)13/h1-6,11,17-18H,7H2
• SMILES isoméricas: C1C(C2=C(C=C(C=C2OC1=O)O)O)C3=CC=C(C=C3)Cl
• PubChem CID: 3774818
• Peso molecular: 290.7

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Phenylpropanoids and polyketides
    • Classe Neoflavonoids
      • Subclass Neoflavans

• Kingdom: Organic compounds
• Superclass: Phenylpropanoids and polyketides
• Classe: Neoflavonoids
• Subclass: Neoflavans
• Intermediate Tree Nodes: Not available
• Direct Parent: Neoflavans
• Alternative Parents: 3,4-dihydrocoumarins 1-benzopyrans Chlorobenzenes 1-hydroxy-4-unsubstituted benzenoids 1-hydroxy-2-unsubstituted benzenoids Aryl chlorides Lactones Carboxylic acid esters Oxacyclic compounds Monocarboxylic acids and derivatives Organochlorides Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Neoflavan - 3,4-dihydrocoumarin - Chromane - Benzopyran - 1-benzopyran - 1-hydroxy-4-unsubstituted benzenoid - 1-hydroxy-2-unsubstituted benzenoid - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Benzenoid - Lactone - Carboxylic acid ester - Monocarboxylic acid or derivatives - Organoheterocyclic compound - Oxacycle - Carboxylic acid derivative - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organohalogen compound - Organochloride - Organooxygen compound - Aromatic heteropolycyclic compound
• Descrição: This compound belongs to the class of organic compounds known as neoflavans. These are neoflavonoids with a structure based on a 3,4-dihydro-4-aryl-2H-1-benzopyran skeleton.
• 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

Propriedades químicas e físicas

• Peso molecular: 290.700 g/mol
• XLogP3: 3.000
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 290.035 Da
• Monoisotopic Mass: 290.035 Da
• Topological Polar Surface Area: 66.800 Ų
• Heavy Atom Count: 20
• Formal Charge: 0
• Complexity: 367.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 1
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1

Perguntas frequentes

What is the purity of this product?

This product is supplied at ≥90% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at room temperature.

How is this product shipped?

This product ships under standard ambient conditions. No temperature-controlled packaging is required.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 338417-72-4, the molecular formula is C15H11ClO4, and the molecular weight is 290.7 g/mol. InChIKey PGQLWUARJSRWOT-UHFFFAOYSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.