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2'-Fluoro-6'-methylbiphenyl-3-carboxylic acid - 98%, high purity , CAS No.1215206-80-6
Discover 2'-Fluoro-6'-methylbiphenyl-3-carboxylic acid by Aladdin Scientific in 98% for only $1,305.90. Available - in Ligands at Aladdin Scientific. Tags: .
Basic Description
Synonyms
1215206-80-6 | 2'-FLUORO-6'-METHYLBIPHENYL-3-CARBOXYLIC ACID | 3-(2-fluoro-6-methylphenyl)benzoic acid | 2-Fluoro-6-methylbiphenyl-3-carboxylic acid | 2'-Fluoro-6'-methyl biphenyl-3-carboxylic acid | DTXSID10681788 | MFCD15143510 | AKOS015853211 | BS-21022 | CS-0208524 | 2'-
Specifications & Purity
≥98%
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
Benzoic acids Benzoyl derivatives Toluenes Fluorobenzenes Aryl fluorides Carboxylic acids Organooxygen compounds Organofluorides Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Biphenyl - Benzoic acid or derivatives - Benzoic acid - Benzoyl - Toluene - Fluorobenzene - Halobenzene - Aryl halide - Aryl fluoride - Carboxylic acid - Carboxylic acid derivative - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organohalogen compound - Organofluoride - Organooxygen 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.
Names and Identifiers
IUPAC Name
3-(2-fluoro-6-methylphenyl)benzoic acid
INCHI
InChI=1S/C14H11FO2/c1-9-4-2-7-12(15)13(9)10-5-3-6-11(8-10)14(16)17/h2-8H,1H3,(H,16,17)
InChIKey
WEFSCTPLVWIRNQ-UHFFFAOYSA-N
Smiles
CC1=C(C(=CC=C1)F)C2=CC(=CC=C2)C(=O)O
Isomeric SMILES
CC1=C(C(=CC=C1)F)C2=CC(=CC=C2)C(=O)O
PubChem CID
53216632
Molecular Weight
230.2
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Molecular Weight
230.230 g/mol
XLogP3
3.500
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
3
Rotatable Bond Count
2
Exact Mass
230.074 Da
Monoisotopic Mass
230.074 Da
Topological Polar Surface Area
37.300 Ų
Heavy Atom Count
17
Formal Charge
0
Complexity
279.000
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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