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Ethyl 4-(3-Bromophenyl)thiazole-2-carboxylate - ≥97%, high purity , CAS No.871673-11-9

COA

Grade & Purity:

≥97%

Cas Number: 871673-11-9
Molecular Weight: 312.19
PubChem CID: 8098247

In stock

Item Number

E710273

Grouped product items
SKU	Size	Availability	Price	Qty
E710273-250mg	250mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$201.90
E710273-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$504.90

Taxonomic Classification

Taxonomy Tree

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

Kingdom	Organic compounds
Superclass	Organoheterocyclic compounds
Class	Azoles
Subclass	Thiazoles
Intermediate Tree Nodes	Not available
Direct Parent	Thiazolecarboxylic acids and derivatives
Alternative Parents	Bromobenzenes 2,4-disubstituted thiazoles Aryl bromides Heteroaromatic compounds Carboxylic acid esters Azacyclic compounds Organooxygen compounds Organonitrogen compounds Organobromides Organic oxides Hydrocarbon derivatives
Molecular Framework	Aromatic heteromonocyclic compounds
Substituents	Thiazolecarboxylic acid or derivatives - 2,4-disubstituted 1,3-thiazole - Bromobenzene - Halobenzene - Aryl bromide - Aryl halide - Monocyclic benzene moiety - Benzenoid - Heteroaromatic compound - Carboxylic acid ester - Azacycle - Carboxylic acid derivative - Organonitrogen compound - Organooxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organohalogen compound - Organobromide - Aromatic heteromonocyclic compound
Description	This compound belongs to the class of organic compounds known as thiazolecarboxylic acids and derivatives. These are heterocyclic compounds containing a thiazole ring which bears a carboxylic acid 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

Names and Identifiers

IUPAC Name	ethyl 4-(3-bromophenyl)-1,3-thiazole-2-carboxylate
INCHI	InChI=1S/C12H10BrNO2S/c1-2-16-12(15)11-14-10(7-17-11)8-4-3-5-9(13)6-8/h3-7H,2H2,1H3
InChIKey	NQWDLNQDIXUKNF-UHFFFAOYSA-N
Smiles	CCOC(=O)C1=NC(=CS1)C2=CC(=CC=C2)Br
Isomeric SMILES	CCOC(=O)C1=NC(=CS1)C2=CC(=CC=C2)Br
PubChem CID	8098247
Molecular Weight	312.19

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

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

Analytical Chart:

Chemical and Physical Properties

Melt Point(°C)	98-100°
Molecular Weight	312.180 g/mol
XLogP3	3.900
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	4
Exact Mass	310.962 Da
Monoisotopic Mass	310.962 Da
Topological Polar Surface Area	67.400 Å²
Heavy Atom Count	17
Formal Charge	0
Complexity	277.000
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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