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5-(3-Chlorophenyl)oxazole-4-carboxylic acid - 98%, high purity , CAS No.255876-54-1

COA

Grade & Purity:

≥98%

Cas Number: 255876-54-1
Molecular Weight: 223.6
PubChem CID: 2739757

In stock

Item Number

C183193

Grouped product items
SKU	Size	Availability	Price	Qty
C183193-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$773.90

Discover 5-(3-Chlorophenyl)oxazole-4-carboxylic acid by Aladdin Scientific in 98% for only $773.90. Available - in Ligands at Aladdin Scientific. Tags: .

Basic Description

Synonyms	5-(3-Chlorophenyl)oxazole-4-carboxylic acid \| 255876-54-1 \| 5-(3-chlorophenyl)-1,3-oxazole-4-carboxylic acid \| Maybridge4_004104 \| HMS1532K12 \| SCHEMBL1166591 \| DTXSID80372338 \| UHZDXZWJFQEEFP-UHFFFAOYSA-N \| CCG-42525 \| MFCD01934492 \| AKOS010901846 \| PS-5529 \| IDI1_032926 \| 5-(3-C
Specifications & Purity	≥98%
Storage Temp	Room temperature
Shipped In	Normal

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organoheterocyclic compounds
  - Class Azoles
    - Subclass Oxazoles

Kingdom	Organic compounds
Superclass	Organoheterocyclic compounds
Class	Azoles
Subclass	Oxazoles
Intermediate Tree Nodes	Not available
Direct Parent	Phenyl-1,3-oxazoles
Alternative Parents	Chlorobenzenes 4,5-disubstituted oxazoles Aryl chlorides Heteroaromatic compounds Oxacyclic compounds Monocarboxylic acids and derivatives Carboxylic acids Azacyclic compounds Organopnictogen compounds Organooxygen compounds Organonitrogen compounds Organochlorides Organic oxides Hydrocarbon derivatives
Molecular Framework	Aromatic heteromonocyclic compounds
Substituents	Phenyl-1,3-oxazole - 4,5-disubstituted 1,3-oxazole - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Benzenoid - Heteroaromatic compound - Carboxylic acid derivative - Oxacycle - Azacycle - Carboxylic acid - Monocarboxylic acid or derivatives - Organic nitrogen compound - Organohalogen compound - Organochloride - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - Aromatic heteromonocyclic compound
Description	This compound belongs to the class of organic compounds known as phenyl-1,3-oxazoles. These are aromatic heterocyclic compounds containing a 1,3-oxazole substituted at one or more positions by a phenyl group.
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-(3-chlorophenyl)-1,3-oxazole-4-carboxylic acid
INCHI	InChI=1S/C10H6ClNO3/c11-7-3-1-2-6(4-7)9-8(10(13)14)12-5-15-9/h1-5H,(H,13,14)
InChIKey	UHZDXZWJFQEEFP-UHFFFAOYSA-N
Smiles	C1=CC(=CC(=C1)Cl)C2=C(N=CO2)C(=O)O
Isomeric SMILES	C1=CC(=CC(=C1)Cl)C2=C(N=CO2)C(=O)O
Molecular Weight	223.6
Reaxy-Rn	19405343
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=19405343&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	223.610 g/mol
XLogP3	2.500
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	2
Exact Mass	223.004 Da
Monoisotopic Mass	223.004 Da
Topological Polar Surface Area	63.300 Å²
Heavy Atom Count	15
Formal Charge	0
Complexity	249.000
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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