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Methyl 2,5-dibromothiophene-3-carboxylate

Methyl 2,5-dibromothiophene-3-carboxylate

Name: Methyl 2,5-dibromothiophene-3-carboxylate
Brand: BOC Sciences
Rating: 5 (1 reviews)

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Molecular Formula:

C6H4Br2O2S

Molecular Weight:

299.97

CAS Number:

89280-91-1

Catalog Number:

89280-91-1

Product Information

Molecular Formula:

C6H4Br2O2S

Molecular Weight:

299.97

Description

Applications: Methyl 2,5-Dibromothiophene-3-Carboxylate is a useful research chemical.

Synonyms

2,5-Dibromothiophene-3-carboxylic acid methyl ester; 3-Thiophenecarboxylic acid, 2,5-dibromo-, methyl ester

IUPAC Name

methyl 2,5-dibromothiophene-3-carboxylate

Canonical SMILES

COC(=O)C1=C(SC(=C1)Br)Br

InChI

InChI=1S/C6H4Br2O2S/c1-10-6(9)3-2-4(7)11-5(3)8/h2H,1H3

InChI Key

VAOITIHBHNKQKO-UHFFFAOYSA-N

Purity

95%

Computed Properties

XLogP3

3.5

Hydrogen Bond Donor Count

Hydrogen Bond Acceptor Count

Rotatable Bond Count

Exact Mass

299.82783 g/mol

Monoisotopic Mass

297.82988 g/mol

Topological Polar Surface Area

54.5Å²

Heavy Atom Count

Formal Charge

Complexity

165

Isotope Atom Count

Defined Atom Stereocenter Count

Undefined Atom Stereocenter Count

Defined Bond Stereocenter Count

Undefined Bond Stereocenter Count

Covalently-Bonded Unit Count

Compound Is Canonicalized

Yes

The molarity calculator equation

Mass (g) = Concentration (mol/L) × Volume (L) × Molecular Weight (g/mol)

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The dilution calculator equation

Concentration _(start) × Volume _(start) = Concentration _(final) × Volume _(final)

This equation is commonly abbreviated as: C₁V₁ = C₂V₂

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Methyl 2,5-dibromothiophene-3-carboxylate

Product Information

Computed Properties

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