Methyl 2,5-dibromothiophene-3-carboxylate

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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
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
0
Hydrogen Bond Acceptor Count
3
Rotatable Bond Count
2
Exact Mass
299.82783 g/mol
Monoisotopic Mass
297.82988 g/mol
Topological Polar Surface Area
54.5Ų
Heavy Atom Count
11
Formal Charge
0
Complexity
165
Isotope Atom Count
0
Defined Atom Stereocenter Count
0
Undefined Atom Stereocenter Count
0
Defined Bond Stereocenter Count
0
Undefined Bond Stereocenter Count
0
Covalently-Bonded Unit Count
1
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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