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4-(4-Fluorophenyl)-2-hydroxybenzoic acid - 95%, high purity , CAS No.67531-84-4
Basic Description
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
Specifications & Purity
≥95%
Storage Temp
Room temperature
Shipped In
Normal
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Benzenoids
Class
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
Description
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.
Mechanisms of Action
Mechanism of Action
Action Type
target ID
Target Name
Target Type
Target Organism
Binding Site Name
References
Names and Identifiers
IUPAC Name
4-(4-fluorophenyl)-2-hydroxybenzoic acid
INCHI
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)
InChIKey
FZNXBABSGDSDJH-UHFFFAOYSA-N
Smiles
C1=CC(=CC=C1C2=CC(=C(C=C2)C(=O)O)O)F
Isomeric SMILES
C1=CC(=CC=C1C2=CC(=C(C=C2)C(=O)O)O)F
Molecular Weight
232.2
Reaxy-Rn
7269035
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=7269035&ln=
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Molecular Weight
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
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