1-(2-Fluorophenyl)cyclohexanecarboxylic acid - ≥95% , CAS No.106795-66-8

CAS: 106795-66-8 Cat. No.: F189562 Fórmula: C₁₃H₁₅FO₂ Peso molecular: 222.26

GRADE & PURITY ≥95%

Synonyms

EN300-1846548 | 1-(2-fluorophenyl)cyclohexanecarboxylic acid, AldrichCPR | 1-(2-fluorophenyl)cyclohexane-1-carboxylic Acid | Cyclohexanecarboxylic acid, 1-(2-fluorophenyl)- | 1-(2-fluorophenyl)cyclohexanecarboxylic acid | C71264 | MFCD00800623 | 1-(2-FLUO

Storage

Room temperature

Shipped In

Normal

Specifications

Sinónimos

EN300-1846548 | 1-(2-fluorophenyl)cyclohexanecarboxylic acid, AldrichCPR | 1-(2-fluorophenyl)cyclohexane-1-carboxylic Acid | Cyclohexanecarboxylic acid, 1-(2-fluorophenyl)- | 1-(2-fluorophenyl)cyclohexanecarboxylic acid | C71264 | MFCD00800623 | 1-(2-FLUO

Especificaciones y pureza

≥95%

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Pureza

≥95%

Nombres e identificadores

• Sonrisas canónicas: C1CCC(CC1)(C2=CC=CC=C2F)C(=O)O
• IUPAC Name: 1-(2-fluorophenyl)cyclohexane-1-carboxylic acid
• InChIKey: ODLLDVJLQPBPPC-UHFFFAOYSA-N
• INCHI: 1S/C13H15FO2/c14-11-7-3-2-6-10(11)13(12(15)16)8-4-1-5-9-13/h2-3,6-7H,1,4-5,8-9H2,(H,15,16)
• Isómeros SMILES: C1CCC(CC1)(C2=CC=CC=C2F)C(=O)O
• Peso molecular: 222.26
• Reaxy-Rn: 5270701
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=5270701&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Clase Benzene and substituted derivatives
      • Subclass Halobenzenes

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: Benzene and substituted derivatives
• Subclass: Halobenzenes
• Intermediate Tree Nodes: Not available
• Direct Parent: Fluorobenzenes
• Alternative Parents: Aryl fluorides Monocarboxylic acids and derivatives Carboxylic acids Organofluorides Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Fluorobenzene - Aryl halide - Aryl fluoride - Monocarboxylic acid or derivatives - Carboxylic acid - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organofluoride - Organohalogen compound - Carbonyl group - Aromatic homomonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as fluorobenzenes. These are compounds containing one or more fluorine atoms attached to a 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

Propiedades químicas y físicas

• Peso molecular: 222.250 g/mol
• XLogP3: 3.500
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 222.106 Da
• Monoisotopic Mass: 222.106 Da
• Topological Polar Surface Area: 37.300 Ų
• Heavy Atom Count: 16
• Formal Charge: 0
• Complexity: 259.000
• 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

Preguntas frecuentes

How should this product be stored?

Store at room temperature.

What is the purity of this product?

This product is supplied at ≥95% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

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 106795-66-8, the molecular formula is C13H15FO2, and the molecular weight is 222.26 g/mol. InChIKey ODLLDVJLQPBPPC-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.