4-(4-Fluorophenyl)-2-hydroxybenzoic acid - ≥95% , CAS No.67531-84-4

CAS: 67531-84-4 Cat. No.: F185957 Summenformel: C₁₃H₉FO₃ Molekulargewicht: 232.2

GRADE & PURITY ≥95%

Synonyms

67531-84-4|4-(4-FLUOROPHENYL)-2-HYDROXYBENZOIC ACID|4'-Fluoro-3-hydroxy-[1,1'-biphenyl]-4-carboxylic acid|4'-Fluoro-3-hydroxy-[1,1'-biphenyl]-4-carboxylicacid|CHEMBL3245057|SCHEMBL17618931|DTXSID00673455|MFCD14701332|AKOS015888688|BS-29377|4'-Fluoro-3-hyd

Storage

Room temperature

Shipped In

Normal

Specifications

Synonyme

67531-84-4 | 4-(4-FLUOROPHENYL)-2-HYDROXYBENZOIC ACID | 4'-Fluoro-3-hydroxy-[1,1'-biphenyl]-4-carboxylic acid | 4'-Fluoro-3-hydroxy-[1,1'-biphenyl]-4-carboxylicacid | CHEMBL3245057 | SCHEMBL17618931 | DTXSID00673455 | MFCD14701332 | AKOS015888688 | BS-29377 | 4'-Fluoro-3-hyd

Spezifikationen & Reinheit

≥95%

Storage

Room temperature

Verschickt in

Normal

Reinheit

≥95%

Namen und Kennungen

• Kanonisches Lächeln: C1=CC(=CC=C1C2=CC(=C(C=C2)C(=O)O)O)F
• IUPAC Name: 4-(4-fluorophenyl)-2-hydroxybenzoic acid
• InChIKey: FZNXBABSGDSDJH-UHFFFAOYSA-N
• INCHI: 1S/C13H9FO3/c14-10-4-1-8(2-5-10)9-3-6-11(13(16)17)12(15)7-9/h1-7,15H,(H,16,17)
• Isomere SMILES: C1=CC(=CC=C1C2=CC(=C(C=C2)C(=O)O)O)F
• Molekulargewicht: 232.2
• Reaxy-Rn: 7269035
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=7269035&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Klasse Benzene and substituted derivatives
      • Subclass Biphenyls and derivatives

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Klasse: Benzene and substituted derivatives
• Subclass: Biphenyls and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Biphenyls and derivatives
• Alternative Parents: Salicylic acids Benzoic acids Benzoyl derivatives Fluorobenzenes 1-hydroxy-4-unsubstituted benzenoids 1-hydroxy-2-unsubstituted benzenoids Aryl fluorides Vinylogous acids Carboxylic acids Organooxygen compounds Organofluorides Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Biphenyl - Salicylic acid - Salicylic acid or derivatives - Hydroxybenzoic acid - Benzoic acid or derivatives - Benzoic acid - Benzoyl - 1-hydroxy-4-unsubstituted benzenoid - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Fluorobenzene - Halobenzene - Aryl fluoride - Aryl halide - Vinylogous acid - Carboxylic acid - Carboxylic acid derivative - Organofluoride - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organohalogen compound - Aromatic homomonocyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as biphenyls and derivatives. These are organic compounds containing to benzene rings linked together by a C-C bond.
• 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

Wirkungsmechanismen

Chemische und physikalische Eigenschaften

• Molekulargewicht: 232.210 g/mol
• XLogP3: 4.400
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 232.054 Da
• Monoisotopic Mass: 232.054 Da
• Topological Polar Surface Area: 57.500 Ų
• Heavy Atom Count: 17
• Formal Charge: 0
• Complexity: 274.000
• 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