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Methyl 4-fluoro-1H-pyrrole-2-carboxylate - 98%, high purity , CAS No.475561-89-8

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Methyl 4-fluoro-1H-pyrrole-2-carboxylate - 98%, high purity , CAS No.475561-89-8

COA

Grade & Purity:

≥98%

Cas Number: 475561-89-8
Molecular Weight: 143.1
PubChem CID: 45089983

In stock

Item Number

M184676

Grouped product items
SKU	Size	Availability	Price
M184676-250mg	250mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$106.90
M184676-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$235.90
M184676-5g	5g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$1,058.90

Basic Description

Synonyms	Methyl 4-fluoro-1H-pyrrole-2-carboxylate \| 475561-89-8 \| Methyl 4-Fluoropyrrole-2-carboxylate \| MFCD11042594 \| C6H6FNO2 \| 4-Fluoro-1H-pyrrole-2-carboxylic Acid Methyl Ester \| 2-carbomethoxy-4-fluoropyrrole \| SCHEMBL1298467 \| CHEMBL4521308 \| AMY7108 \| DTXSID90666558 \| DQCVQMRML
Specifications & Purity	≥98%
Shipped In	Normal

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organoheterocyclic compounds
  - Class Pyrroles
    - Subclass Pyrrole carboxylic acids and derivatives

Kingdom	Organic compounds
Superclass	Organoheterocyclic compounds
Class	Pyrroles
Subclass	Pyrrole carboxylic acids and derivatives
Intermediate Tree Nodes	Not available
Direct Parent	Pyrrole carboxylic acids and derivatives
Alternative Parents	Substituted pyrroles Aryl fluorides Methyl esters Heteroaromatic compounds Azacyclic compounds Organooxygen compounds Organonitrogen compounds Organofluorides Organic oxides Hydrocarbon derivatives
Molecular Framework	Aromatic heteromonocyclic compounds
Substituents	Pyrrole-2-carboxylic acid or derivatives - Aryl fluoride - Aryl halide - Substituted pyrrole - Methyl ester - Heteroaromatic compound - Carboxylic acid ester - Carboxylic acid derivative - Azacycle - Hydrocarbon derivative - Organic oxide - Organooxygen compound - Organonitrogen compound - Organofluoride - Organohalogen compound - Organic oxygen compound - Organic nitrogen compound - Aromatic heteromonocyclic compound
Description	This compound belongs to the class of organic compounds known as pyrrole carboxylic acids and derivatives. These are heterocyclic compounds containing a pyrrole ring bearing a carboxyl group (or a derivative thereof).
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

Associated Targets(non-human)

Pseudomonas aeruginosa (123386 Activities)

Explore this target

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mechanisms of Action

Mechanism of Action	Action Type	target ID	Target Name	Target Type	Target Organism	Binding Site Name	References

Names and Identifiers

IUPAC Name	methyl 4-fluoro-1H-pyrrole-2-carboxylate
INCHI	InChI=1S/C6H6FNO2/c1-10-6(9)5-2-4(7)3-8-5/h2-3,8H,1H3
InChIKey	DQCVQMRMLSMVDL-UHFFFAOYSA-N
Smiles	COC(=O)C1=CC(=CN1)F
Isomeric SMILES	COC(=O)C1=CC(=CN1)F
Molecular Weight	143.1
Reaxy-Rn	9189507
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=9189507&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	143.120 g/mol
XLogP3	1.000
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	2
Exact Mass	143.038 Da
Monoisotopic Mass	143.038 Da
Topological Polar Surface Area	42.100 Å²
Heavy Atom Count	10
Formal Charge	0
Complexity	140.000
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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