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Methyl 5-(2-bromoacetyl)thiophene-2-carboxylate - ≥95%, high purity , CAS No.4192-32-9

COA

Grade & Purity:

≥95%

Cas Number: 4192-32-9
Molecular Weight: 263.11
PubChem CID: 13727591

In stock

Item Number

M727659

Grouped product items
SKU	Size	Availability	Price
M727659-100mg	100mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$334.90
M727659-250mg	250mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$567.90
M727659-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$1,532.90

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 alkyl ketones 2,5-disubstituted thiophenes Methyl esters Heteroaromatic compounds Alpha-haloketones Organobromides Organic oxides Hydrocarbon derivatives Alkyl bromides
Molecular Framework	Aromatic heteromonocyclic compounds
Substituents	Thiophene carboxylic acid or derivatives - Aryl ketone - Aryl alkyl ketone - 2,5-disubstituted thiophene - Heteroaromatic compound - Methyl ester - Alpha-haloketone - Ketone - Carboxylic acid ester - Carboxylic acid derivative - Hydrocarbon derivative - Alkyl halide - Alkyl bromide - Organooxygen compound - Organobromide - Organohalogen compound - Organic oxide - Organic oxygen compound - 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 5-(2-bromoacetyl)thiophene-2-carboxylate
INCHI	InChI=1S/C8H7BrO3S/c1-12-8(11)7-3-2-6(13-7)5(10)4-9/h2-3H,4H2,1H3
InChIKey	KKPYVZJBLYIYRX-UHFFFAOYSA-N
Smiles	COC(=O)C1=CC=C(S1)C(=O)CBr
Isomeric SMILES	COC(=O)C1=CC=C(S1)C(=O)CBr
PubChem CID	13727591
Molecular Weight	263.11

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

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	263.110 g/mol
XLogP3	2.600
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	4
Exact Mass	261.93 Da
Monoisotopic Mass	261.93 Da
Topological Polar Surface Area	71.600 Å²
Heavy Atom Count	13
Formal Charge	0
Complexity	219.000
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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