2-(4-fluorophenyl)indazole - ≥97% , CAS No.81265-90-9

CAS: 81265-90-9 Cat. No.: I634588 Formule: C₁₃H₉N₂F Poids moléculaire: 212.22 PubChem CID: 3067343

GRADE & PURITY ≥97%

Synonyms

AS-79635 | 2H-Indazole, 2-(p-fluorophenyl)- | 2-(4-fluorophenyl)indazole | DTXSID70231026 | MFCD01719707 | M.G. 18841 | SY322982 | SCHEMBL14036890 | 2-(4-Fluorophenyl)-2H-indazole | P19825 | 2-(p-Fluorophenyl)-2H-indazole

Storage

Room temperature

Shipped In

Normal

Specifications

Synonymes

AS-79635 | 2H-Indazole, 2-(p-fluorophenyl)- | 2-(4-fluorophenyl)indazole | DTXSID70231026 | MFCD01719707 | M.G. 18841 | SY322982 | SCHEMBL14036890 | 2-(4-Fluorophenyl)-2H-indazole | P19825 | 2-(p-Fluorophenyl)-2H-indazole

Spécifications et pureté

≥97%

Conditions de stockage de stockage

Room temperature

Expédié en

Normal

Pureté

≥97%

Noms et identifiants

Sourires canoniques

C1=CC2=CN(N=C2C=C1)C3=CC=C(C=C3)F

IUPAC Name

2-(4-fluorophenyl)indazole

InChIKey

XESDDYSPKWRMMF-UHFFFAOYSA-N

INCHI

1S/C13H9FN2/c14-11-5-7-12(8-6-11)16-9-10-3-1-2-4-13(10)15-16/h1-9H

Isomères SMILES

C1=CC2=CN(N=C2C=C1)C3=CC=C(C=C3)F

CAS alternatif

81265-90-9

PubChem CID

3067343

Poids moléculaire

212.22

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Classe Azoles
      • Subclass Pyrazoles

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Classe: Azoles
• Subclass: Pyrazoles
• Intermediate Tree Nodes: Not available
• Direct Parent: Phenylpyrazoles
• Alternative Parents: Indazoles Fluorobenzenes Aryl fluorides Heteroaromatic compounds Azacyclic compounds Organonitrogen compounds Organofluorides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Phenylpyrazole - Benzopyrazole - Indazole - Fluorobenzene - Halobenzene - Aryl fluoride - Aryl halide - Monocyclic benzene moiety - Benzenoid - Heteroaromatic compound - Azacycle - Hydrocarbon derivative - Organic nitrogen compound - Organohalogen compound - Organofluoride - Organonitrogen compound - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as phenylpyrazoles. These are compounds containing a phenylpyrazole skeleton, which consists of a pyrazole bound to a phenyl group.
• 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

Propriétés chimiques et physiques

• Poids moléculaire: 212.220 g/mol
• XLogP3: 3.300
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 212.075 Da
• Monoisotopic Mass: 212.075 Da
• Topological Polar Surface Area: 17.800 Ų
• Heavy Atom Count: 16
• Formal Charge: 0
• Complexity: 238.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1

Foire aux questions

What is the purity of this product?

This product is supplied at ≥97% 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 81265-90-9, the molecular formula is C13H9N2F, and the molecular weight is 212.22 g/mol. InChIKey XESDDYSPKWRMMF-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.