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Methyl 4，5-dibromo-3-fluorothiophene-2-carboxylate - ≥95%, high purity , CAS No.395664-58-1

COA

Grade & Purity:

≥95%

Cas Number: 395664-58-1
Molecular Weight: 317.97
PubChem CID: 15533893

In stock

Item Number

M728455

Grouped product items
SKU	Size	Availability	Price	Qty
M728455-100mg	100mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$346.90

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organoheterocyclic compounds
  - Class Thiophenes
    - Subclass Thiophene carboxylic acids and derivatives

Kingdom	Organic compounds
Superclass	Organoheterocyclic compounds
Class	Thiophenes
Subclass	Thiophene carboxylic acids and derivatives
Intermediate Tree Nodes	Not available
Direct Parent	Thiophene carboxylic acids and derivatives
Alternative Parents	Aryl fluorides Aryl bromides Vinylogous halides Methyl esters Heteroaromatic compounds Organooxygen compounds Organofluorides Organobromides Organic oxides Hydrocarbon derivatives
Molecular Framework	Aromatic heteromonocyclic compounds
Substituents	Thiophene carboxylic acid or derivatives - Aryl bromide - Aryl fluoride - Aryl halide - Heteroaromatic compound - Vinylogous halide - Methyl ester - Carboxylic acid ester - Carboxylic acid derivative - Organobromide - Organohalogen compound - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organofluoride - Aromatic heteromonocyclic compound
Description	This compound belongs to the class of organic compounds known as thiophene carboxylic acids and derivatives. These are compounds containing a thiophene ring which bears a carboxylic acid group (or a salt/ester 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

Names and Identifiers

IUPAC Name	methyl 4,5-dibromo-3-fluorothiophene-2-carboxylate
INCHI	InChI=1S/C6H3Br2FO2S/c1-11-6(10)4-3(9)2(7)5(8)12-4/h1H3
InChIKey	CUZHIRPKCADYDJ-UHFFFAOYSA-N
Smiles	COC(=O)C1=C(C(=C(S1)Br)Br)F
Isomeric SMILES	COC(=O)C1=C(C(=C(S1)Br)Br)F
PubChem CID	15533893
Molecular Weight	317.97

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

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	317.960 g/mol
XLogP3	3.600
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	2
Exact Mass	317.818 Da
Monoisotopic Mass	315.82 Da
Topological Polar Surface Area	54.500 Å²
Heavy Atom Count	12
Formal Charge	0
Complexity	192.000
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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