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5-(2,4-difluorophenyl)isoxazole-3-carboxylic acid - 97%, high purity , CAS No.1083224-23-0

COA

Grade & Purity:

≥97%

Cas Number: 1083224-23-0
Molecular Weight: 225.15
PubChem CID: 28951583

In stock

Item Number

I626796

Grouped product items
SKU	Size	Availability	Price
I626796-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$47.90
I626796-5g	5g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$194.90
I626796-10g	10g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$388.90

Basic Description

Synonyms	5-(2,4-difluorophenyl)isoxazole-3-carboxylic acid \| 1083224-23-0 \| 5-(2,4-difluorophenyl)-1,2-oxazole-3-carboxylic acid \| MFCD07377120 \| 5-(2,4-Difluorophenyl)isoxazole-3-carboxylicAcid \| F2135-0584 \| SCHEMBL11902510 \| AKOS002658340 \| CCG-311885 \| AS-3199
Specifications & Purity	≥97%
Shipped In	Normal

Taxonomic Classification

Taxonomy Tree

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

Kingdom	Organic compounds
Superclass	Benzenoids
Class	Benzene and substituted derivatives
Subclass	Halobenzenes
Intermediate Tree Nodes	Not available
Direct Parent	Fluorobenzenes
Alternative Parents	Aryl fluorides Isoxazoles Heteroaromatic compounds Oxacyclic compounds Carboxylic acids Azacyclic compounds Organooxygen compounds Organonitrogen compounds Organofluorides Organic oxides Hydrocarbon derivatives
Molecular Framework	Aromatic heteromonocyclic compounds
Substituents	Fluorobenzene - Aryl fluoride - Aryl halide - Azole - Heteroaromatic compound - Isoxazole - Carboxylic acid derivative - Carboxylic acid - Oxacycle - Organoheterocyclic compound - Azacycle - Organohalogen compound - Organic oxygen compound - Hydrocarbon derivative - Organic nitrogen compound - Organofluoride - Organonitrogen compound - Organooxygen compound - Organic oxide - Aromatic heteromonocyclic compound
Description	This compound belongs to the class of organic compounds known as fluorobenzenes. These are compounds containing one or more fluorine atoms attached to a benzene ring.
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	5-(2,4-difluorophenyl)-1,2-oxazole-3-carboxylic acid
INCHI	InChI=1S/C10H5F2NO3/c11-5-1-2-6(7(12)3-5)9-4-8(10(14)15)13-16-9/h1-4H,(H,14,15)
InChIKey	FQAFQXBZWSTPRH-UHFFFAOYSA-N
Smiles	C1=CC(=C(C=C1F)F)C2=CC(=NO2)C(=O)O
Isomeric SMILES	C1=CC(=C(C=C1F)F)C2=CC(=NO2)C(=O)O
PubChem CID	28951583
Molecular Weight	225.15

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

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	225.150 g/mol
XLogP3	2.100
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	2
Exact Mass	225.024 Da
Monoisotopic Mass	225.024 Da
Topological Polar Surface Area	63.300 Å²
Heavy Atom Count	16
Formal Charge	0
Complexity	277.000
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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