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Methyl 5-Chlorofuran-2-carboxylate - ≥95%, high purity , CAS No.58235-81-7

COA

Grade & Purity:

≥95%

Cas Number: 58235-81-7
PubChem CID: 12239444

In stock

Item Number

M726594

Grouped product items
SKU	Size	Availability	Price	Qty
M726594-250mg	250mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$292.90
M726594-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$786.90

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organoheterocyclic compounds
  - Class Furans
    - Subclass Furoic acid and derivatives

Kingdom	Organic compounds
Superclass	Organoheterocyclic compounds
Class	Furans
Subclass	Furoic acid and derivatives
Intermediate Tree Nodes	Not available
Direct Parent	Furoic acid esters
Alternative Parents	Aryl chlorides Methyl esters Heteroaromatic compounds Oxacyclic compounds Monocarboxylic acids and derivatives Organooxygen compounds Organochlorides Organic oxides Hydrocarbon derivatives
Molecular Framework	Aromatic heteromonocyclic compounds
Substituents	Furoic acid ester - Aryl chloride - Aryl halide - Heteroaromatic compound - Methyl ester - Carboxylic acid ester - Carboxylic acid derivative - Oxacycle - Monocarboxylic acid or derivatives - Organic oxygen compound - Organohalogen compound - Organochloride - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Aromatic heteromonocyclic compound
Description	This compound belongs to the class of organic compounds known as furoic acid esters. These are ester derivatives of furoic acid.
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	methyl 5-chlorofuran-2-carboxylate
INCHI	InChI=1S/C6H5ClO3/c1-9-6(8)4-2-3-5(7)10-4/h2-3H,1H3
InChIKey	WXVHAUZPVNUGSJ-UHFFFAOYSA-N
Smiles	COC(=O)C1=CC=C(O1)Cl
Isomeric SMILES	COC(=O)C1=CC=C(O1)Cl
PubChem CID	12239444

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

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	160.550 g/mol
XLogP3	1.800
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	2
Exact Mass	159.993 Da
Monoisotopic Mass	159.993 Da
Topological Polar Surface Area	39.400 Å²
Heavy Atom Count	10
Formal Charge	0
Complexity	137.000
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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