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4-(4-Carboxyphenyl)-3-fluorobenzoic acid - 97%, high purity , CAS No.1261943-47-8

COA

Grade & Purity:

≥97%

Cas Number: 1261943-47-8
Molecular Weight: 260.2
PubChem CID: 53226186

In stock

Item Number

C180883

Grouped product items
SKU	Size	Availability	Price	Qty
C180883-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$1,175.90
C180883-5g	5g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$1,618.90

Discover 4-(4-Carboxyphenyl)-3-fluorobenzoic acid by Aladdin Scientific in 97% for only $1,175.90. Available - in Ligands at Aladdin Scientific. Tags: .

Basic Description

Synonyms	1261943-47-8 \| 4-(4-CARBOXYPHENYL)-3-FLUOROBENZOIC ACID \| 2-Fluoro-[1,1'-biphenyl]-4,4'-dicarboxylic acid \| 2-Fluoro-[1,1/'-biphenyl]-4,4/'-dicarboxylic acid \| 2-Fluoro-[1,1'-biphenyl]-4,4'-dicarboxylicacid \| SCHEMBL6252810 \| DTXSID80689918 \| MFCD18320278 \| AKOS015888575
Specifications & Purity	≥97%
Storage Temp	Room temperature
Shipped In	Normal

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Benzenoids
  - Class Benzene and substituted derivatives
    - Subclass Biphenyls and derivatives

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 Benzoic acids Benzoyl derivatives Fluorobenzenes Aryl fluorides Carboxylic acids Organooxygen compounds Organofluorides Organic oxides Hydrocarbon derivatives
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	Biphenyl - Halobenzoic acid - 3-halobenzoic acid - Halobenzoic acid or derivatives - 3-halobenzoic acid or derivatives - Benzoic acid or derivatives - Benzoic acid - Benzoyl - Halobenzene - Fluorobenzene - Aryl halide - Aryl fluoride - Carboxylic acid - Carboxylic acid derivative - Organofluoride - Organohalogen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - 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
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. DOI: 10.1186/s13321-016-0174-y

Names and Identifiers

IUPAC Name	4-(4-carboxyphenyl)-3-fluorobenzoic acid
INCHI	InChI=1S/C14H9FO4/c15-12-7-10(14(18)19)5-6-11(12)8-1-3-9(4-2-8)13(16)17/h1-7H,(H,16,17)(H,18,19)
InChIKey	BUQRZVJBMSYTHL-UHFFFAOYSA-N
Smiles	C1=CC(=CC=C1C2=C(C=C(C=C2)C(=O)O)F)C(=O)O
Isomeric SMILES	C1=CC(=CC=C1C2=C(C=C(C=C2)C(=O)O)F)C(=O)O
Molecular Weight	260.2
Reaxy-Rn	59002705
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=59002705&ln=

Certificates（CoA,COO,BSE/TSE and Analysis Chart)

C of A & Other Certificates(BSE/TSE, COO):

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	260.220 g/mol
XLogP3	2.700
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	3
Exact Mass	260.048 Da
Monoisotopic Mass	260.048 Da
Topological Polar Surface Area	74.600 Å²
Heavy Atom Count	19
Formal Charge	0
Complexity	349.000
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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