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4-(2-Chloro-5-methoxyphenyl)-3-fluorobenzoic acid - 95%, high purity , CAS No.1261904-84-0

COA

Grade & Purity:

≥95%

Cas Number: 1261904-84-0
Molecular Weight: 280.7
PubChem CID: 53227487

In stock

Item Number

C180845

Grouped product items
SKU	Size	Availability	Price	Qty
C180845-5g	5g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$1,175.90

Discover 4-(2-Chloro-5-methoxyphenyl)-3-fluorobenzoic acid by Aladdin Scientific in 95% for only $1,175.90. Available - in Ligands at Aladdin Scientific. Tags: .

Basic Description

Synonyms	1261904-84-0 \| 4-(2-CHLORO-5-METHOXYPHENYL)-3-FLUOROBENZOIC ACID \| 2'-Chloro-2-fluoro-5'-methoxy-[1,1'-biphenyl]-4-carboxylic acid \| 2/'-Chloro-2-fluoro-5/'-Methoxy-[1,1/'-biphenyl]-4-carboxylic acid \| DTXSID70691020 \| 2'-Chloro-2-fluoro-5'-methoxy-[1,1'-biphenyl]-
Specifications & Purity	≥95%
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	3-halobenzoic acids Halobenzoic acids Benzoic acids Phenoxy compounds Anisoles Methoxybenzenes Benzoyl derivatives Alkyl aryl ethers Chlorobenzenes Fluorobenzenes Aryl fluorides Aryl chlorides Carboxylic acids Hydrocarbon derivatives Organic oxides Organofluorides Organochlorides
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	Chlorinated biphenyl - 3-halobenzoic acid or derivatives - Halobenzoic acid or derivatives - 3-halobenzoic acid - Halobenzoic acid - Benzoic acid or derivatives - Benzoic acid - Methoxybenzene - Phenol ether - Anisole - Benzoyl - Phenoxy compound - Alkyl aryl ether - Chlorobenzene - Halobenzene - Fluorobenzene - Aryl chloride - Aryl fluoride - Aryl halide - Carboxylic acid - Carboxylic acid derivative - Ether - Organofluoride - Organooxygen compound - Organic oxygen compound - Hydrocarbon derivative - Organic oxide - Organochloride - Organohalogen 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-(2-chloro-5-methoxyphenyl)-3-fluorobenzoic acid
INCHI	InChI=1S/C14H10ClFO3/c1-19-9-3-5-12(15)11(7-9)10-4-2-8(14(17)18)6-13(10)16/h2-7H,1H3,(H,17,18)
InChIKey	UAJJDRBRMQMSRE-UHFFFAOYSA-N
Smiles	COC1=CC(=C(C=C1)Cl)C2=C(C=C(C=C2)C(=O)O)F
Isomeric SMILES	COC1=CC(=C(C=C1)Cl)C2=C(C=C(C=C2)C(=O)O)F
PubChem CID	53227487
Molecular Weight	280.7

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

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	280.680 g/mol
XLogP3	4.100
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	3
Exact Mass	280.03 Da
Monoisotopic Mass	280.03 Da
Topological Polar Surface Area	46.500 Å²
Heavy Atom Count	19
Formal Charge	0
Complexity	326.000
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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