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4-(3-Carboxy-5-fluorophenyl)-2-fluorobenzoic acid - 96%, high purity , CAS No.1261978-52-2
Discover 4-(3-Carboxy-5-fluorophenyl)-2-fluorobenzoic acid by Aladdin Scientific in 96% for only $3,132.90. Available - in Ligands at Aladdin Scientific. Tags: .
Basic Description
Synonyms
1261978-52-2 | 3',5-Difluoro-[1,1'-biphenyl]-3,4'-dicarboxylic acid | 4-(3-CARBOXY-5-FLUOROPHENYL)-2-FLUOROBENZOIC ACID | 3',5-Difluoro-[1,1'-biphenyl]-3,4'-dicarboxylicacid | DTXSID50690899 | MFCD18321471 | BS-20368 | CS-0209736 | 3',5-Difluoro[1,1'-biphenyl]-3,4'-dicar
Specifications & Purity
≥96%
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
Halobenzoic acids 3-halobenzoic acids 2-halobenzoic acids Benzoic acids Benzoyl derivatives 1-carboxy-2-haloaromatic compounds Fluorobenzenes Aryl fluorides Vinylogous halides Organooxygen compounds Organofluorides Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Biphenyl - 2-halobenzoic acid or derivatives - 3-halobenzoic acid or derivatives - Halobenzoic acid or derivatives - 2-halobenzoic acid - 3-halobenzoic acid - Halobenzoic acid - Benzoic acid - Benzoic acid or derivatives - Benzoyl - 1-carboxy-2-haloaromatic compound - Fluorobenzene - Halobenzene - Aryl fluoride - Aryl halide - Vinylogous halide - Carboxylic acid - Carboxylic acid derivative - Organohalogen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen 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
4-(3-carboxy-5-fluorophenyl)-2-fluorobenzoic acid
INCHI
InChI=1S/C14H8F2O4/c15-10-4-8(3-9(5-10)13(17)18)7-1-2-11(14(19)20)12(16)6-7/h1-6H,(H,17,18)(H,19,20)
InChIKey
IGQUFUDCEOBZLV-UHFFFAOYSA-N
Smiles
C1=CC(=C(C=C1C2=CC(=CC(=C2)F)C(=O)O)F)C(=O)O
Isomeric SMILES
C1=CC(=C(C=C1C2=CC(=CC(=C2)F)C(=O)O)F)C(=O)O
PubChem CID
53227343
Molecular Weight
278.2
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Molecular Weight
278.210 g/mol
XLogP3
2.800
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
6
Rotatable Bond Count
3
Exact Mass
278.039 Da
Monoisotopic Mass
278.039 Da
Topological Polar Surface Area
74.600 Ų
Heavy Atom Count
20
Formal Charge
0
Complexity
387.000
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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