The store will not work correctly when cookies are disabled.
JavaScript seems to be disabled in your browser.
For the best experience on our site, be sure to turn on Javascript in your browser.
This is a demo store. No orders will be fulfilled.
We use cookies to keep things working smoothly and to improve your experience.
Choose what’s okay for you below. See our Cookie Policy .
Accept Cookies
5-Bromo-2-hydroxy-[1,1'-biphenyl]-3-carboxylic acid , CAS No.99514-99-5
Basic Description
Synonyms
5-Bromo-3-phenyl salicylic acid | 5-bromo-2-hydroxy-3-phenylbenzoic acid | 5-Bromo-2-hydroxy-[1,1'-biphenyl]-3-carboxylic acid | 5-bromo-2-hydroxy-[1,1'-biphenyl]-3-carboxylicacid | 5-Bromo-3-phenylsalicylic acid | 3-Phenyl-5-bromosalicylic acid | DTXSID9
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Benzene and substituted derivatives
Subclass
Biphenyls and derivatives
Intermediate Tree Nodes
Not available
Direct Parent
Brominated biphenyls
Alternative Parents
Salicylic acids Halobenzoic acids 3-halobenzoic acids Benzoic acids P-bromophenols Benzoyl derivatives Bromobenzenes Aryl bromides Vinylogous acids Monocarboxylic acids and derivatives Carboxylic acids Organooxygen compounds Organobromides Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Brominated biphenyl - Halobenzoic acid - 3-halobenzoic acid - Halobenzoic acid or derivatives - 3-halobenzoic acid or derivatives - Salicylic acid - Salicylic acid or derivatives - Hydroxybenzoic acid - Benzoic acid or derivatives - Benzoic acid - Benzoyl - 4-halophenol - 4-bromophenol - Bromobenzene - Halobenzene - Phenol - Aryl halide - Aryl bromide - Vinylogous acid - Carboxylic acid - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organohalogen compound - Organobromide - Aromatic homomonocyclic compound
Description
This compound belongs to the class of organic compounds known as brominated biphenyls. These are organic compounds containing a biphenyl moiety substituted at one or more positions by a bromine atom.
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.
Associated Targets(Human)
Associated Targets(non-human)
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
5-bromo-2-hydroxy-3-phenylbenzoic acid
INCHI
InChI=1S/C13H9BrO3/c14-9-6-10(8-4-2-1-3-5-8)12(15)11(7-9)13(16)17/h1-7,15H,(H,16,17)
InChIKey
HUQWWRUNBHYQLK-UHFFFAOYSA-N
Smiles
C1=CC=C(C=C1)C2=C(C(=CC(=C2)Br)C(=O)O)O
Isomeric SMILES
C1=CC=C(C=C1)C2=C(C(=CC(=C2)Br)C(=O)O)O
PubChem CID
22607959
Molecular Weight
293.11
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Molecular Weight
293.110 g/mol
XLogP3
4.000
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
3
Rotatable Bond Count
2
Exact Mass
291.974 Da
Monoisotopic Mass
291.974 Da
Topological Polar Surface Area
57.500 Ų
Heavy Atom Count
17
Formal Charge
0
Complexity
276.000
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
Solution Calculators
Molarity Calculator
Determine the necessary mass, volume, or concentration for preparing a solution.
Dilution Calculator
Determine the dilution needed to prepare a stock solution.
Reconstitution Calculator
Shall we send you a message when we have discounts available?
Remind me later
Allow
Thank you! Please check your email inbox to confirm.
Oops! Notifications are disabled.
