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4-(3-Chloro-5-fluorophenyl)-3-fluorobenzoic acid - 98%, high purity , CAS No.1261970-29-9

COA

Grade & Purity:

≥98%

Cas Number: 1261970-29-9
Molecular Weight: 268.6
PubChem CID: 53226890

In stock

Item Number

C180909

Grouped product items
SKU	Size	Availability	Price	Qty
C180909-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$1,443.90
C180909-5g	5g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$4,062.90

Discover 4-(3-Chloro-5-fluorophenyl)-3-fluorobenzoic acid by Aladdin Scientific in 98% for only $1,443.90. Available - in Ligands at Aladdin Scientific. Tags: .

Basic Description

Synonyms	1261970-29-9 \| 4-(3-CHLORO-5-FLUOROPHENYL)-3-FLUOROBENZOIC ACID \| 3'-Chloro-2,5'-difluoro-[1,1'-biphenyl]-4-carboxylic acid \| 3/'-Chloro-2,5/'-difluoro-[1,1/'-biphenyl]-4-carboxylic acid \| DTXSID20690508 \| 3'-Chloro-2,5'-difluoro-[1,1'-biphenyl]-4-carboxylicacid \| MF
Specifications & Purity	≥98%
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	Chlorinated biphenyls
Alternative Parents	Halobenzoic acids 3-halobenzoic acids Benzoic acids Benzoyl derivatives Fluorobenzenes Chlorobenzenes Aryl fluorides Aryl chlorides Carboxylic acids Organooxygen compounds Organofluorides Organochlorides Organic oxides Hydrocarbon derivatives
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	Chlorinated biphenyl - Halobenzoic acid - 3-halobenzoic acid - Halobenzoic acid or derivatives - 3-halobenzoic acid or derivatives - Benzoic acid or derivatives - Benzoic acid - Benzoyl - Halobenzene - Fluorobenzene - Chlorobenzene - Aryl halide - Aryl fluoride - Aryl chloride - Carboxylic acid - Carboxylic acid derivative - Organofluoride - Organochloride - 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 chlorinated biphenyls. These are organic compounds containing at least one chlorine atom attached to either benzene ring of the biphenyl moiety.
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-(3-chloro-5-fluorophenyl)-3-fluorobenzoic acid
INCHI	InChI=1S/C13H7ClF2O2/c14-9-3-8(4-10(15)6-9)11-2-1-7(13(17)18)5-12(11)16/h1-6H,(H,17,18)
InChIKey	VLBASAJZSPEHPF-UHFFFAOYSA-N
Smiles	C1=CC(=C(C=C1C(=O)O)F)C2=CC(=CC(=C2)Cl)F
Isomeric SMILES	C1=CC(=C(C=C1C(=O)O)F)C2=CC(=CC(=C2)Cl)F
PubChem CID	53226890
Molecular Weight	268.6

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

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	268.640 g/mol
XLogP3	3.900
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	2
Exact Mass	268.01 Da
Monoisotopic Mass	268.01 Da
Topological Polar Surface Area	37.300 Å²
Heavy Atom Count	18
Formal Charge	0
Complexity	313.000
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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