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2'-Fluoro-4'-methoxybiphenyl-3-carboxylic acid - 95%, high purity , CAS No.1182754-74-0
Discover 2'-Fluoro-4'-methoxybiphenyl-3-carboxylic acid by Aladdin Scientific in 95% for only $2,936.90. Available - in Ligands at Aladdin Scientific. Tags: .
Basic Description
Synonyms
2'-FLUORO-4'-METHOXYBIPHENYL-3-CARBOXYLIC ACID | 1182754-74-0 | 3-(2-fluoro-4-methoxyphenyl)benzoic acid | DTXSID80681295 | AKOS005820854 | CS-0289271 | EN300-1585984 | A893186 | 2'-FLUORO-4'-METHOXYBIPHENYL-3-CARBOXYLICACID | 2'-Fluoro-4'-methoxy[1,1'-biphenyl]-3-carboxyl
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
Benzoic acids Phenoxy compounds Methoxybenzenes Benzoyl derivatives Anisoles Fluorobenzenes Alkyl aryl ethers Aryl fluorides Carboxylic acids Organofluorides Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Biphenyl - Benzoic acid or derivatives - Benzoic acid - Phenoxy compound - Anisole - Methoxybenzene - Phenol ether - Benzoyl - Alkyl aryl ether - Halobenzene - Fluorobenzene - Aryl fluoride - Aryl halide - Ether - Carboxylic acid - Carboxylic acid derivative - Organohalogen compound - Organofluoride - Organooxygen compound - Hydrocarbon derivative - Organic oxygen compound - Organic oxide - 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-4-methoxyphenyl)benzoic acid
INCHI
InChI=1S/C14H11FO3/c1-18-11-5-6-12(13(15)8-11)9-3-2-4-10(7-9)14(16)17/h2-8H,1H3,(H,16,17)
InChIKey
OORQZOBGEWAKDV-UHFFFAOYSA-N
Smiles
COC1=CC(=C(C=C1)C2=CC(=CC=C2)C(=O)O)F
Isomeric SMILES
COC1=CC(=C(C=C1)C2=CC(=CC=C2)C(=O)O)F
PubChem CID
53211264
Molecular Weight
246.2
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Molecular Weight
246.230 g/mol
XLogP3
3.100
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
4
Rotatable Bond Count
3
Exact Mass
246.069 Da
Monoisotopic Mass
246.069 Da
Topological Polar Surface Area
46.500 Ų
Heavy Atom Count
18
Formal Charge
0
Complexity
295.000
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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