1-(3-Fluorophenyl)cyclohexanecarboxylic acid - ≥95% , CAS No.214262-98-3

CAS: 214262-98-3 Cat. No.: F300571 Formula: C₁₃H₁₅FO₂ Peso molecolare: 222.26 Numero EC: 157-152-7

GRADE & PURITY ≥95%

Synonyms

SCHEMBL435932 | Z228588650 | 1-(3-Fluorophenyl)cyclohexanecarboxylic acid, AldrichCPR | 1-(3-FLUOROPHENYL)CYCLOHEXANECARBOXYLIC ACID | NCGC00336803-01 | AB90644 | J-503146 | AKOS000345195 | DTXSID80352938 | 1-(3-fluorophenyl)cyclohexane-1-carboxylic Acid

Storage

Room temperature

Shipped In

Normal

Specifications

Sinonimi

SCHEMBL435932 | Z228588650 | 1-(3-Fluorophenyl)cyclohexanecarboxylic acid, AldrichCPR | 1-(3-FLUOROPHENYL)CYCLOHEXANECARBOXYLIC ACID | NCGC00336803-01 | AB90644 | J-503146 | AKOS000345195 | DTXSID80352938 | 1-(3-fluorophenyl)cyclohexane-1-carboxylic Acid

Specifiche e purezza

≥95%

Condizioni di conservazione di stoccaggio

Room temperature

Spedito in

Normal

Purezza

≥95%

Nomi e identificatori

• Sorrisi canonici: C1CCC(CC1)(C2=CC(=CC=C2)F)C(=O)O
• IUPAC Name: 1-(3-fluorophenyl)cyclohexane-1-carboxylic acid
• InChIKey: RIQOIHJORXEGFT-UHFFFAOYSA-N
• INCHI: 1S/C13H15FO2/c14-11-6-4-5-10(9-11)13(12(15)16)7-2-1-3-8-13/h4-6,9H,1-3,7-8H2,(H,15,16)
• Isomeri SMILES: C1CCC(CC1)(C2=CC(=CC=C2)F)C(=O)O
• Peso molecolare: 222.26
• Reaxy-Rn: 18695973
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=18695973&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: 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
• Descrizione: 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

Proprietà chimiche e fisiche

• Peso molecolare: 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