Ethyl 5-bromothiophene-2-carboxylate

C₇H₇BrO₂SCAS 5751-83-7235.09 g/mol

Open in Covalent MOL file

Aryl halide Ester

Properties

Molecular formula: C₇H₇BrO₂S
Molar mass: 235.09 g/mol
Exact mass: 233.9350 Da
logP: 2.69Crippen estimate
Polar surface area: 26.3 Å²
H-bond donors / acceptors: 0 / 3
Rotatable bonds: 2

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number

5751-83-7

SMILES

CCOC(=O)C1=CC=C(S1)Br

InChIKey

PZNHMXAOMDQLLE-UHFFFAOYSA-N

InChI

InChI=1S/C7H7BrO2S/c1-2-10-7(9)5-3-4-6(8)11-5/h3-4H,2H2,1H3

Weigh it out

Type any one amount. The others follow from the molar mass.

Work with Ethyl 5-bromothiophene-2-carboxylate

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Methyl 5-bromothiophene-2-carboxylate62224-19-563 % similar Ethyl 5-chlorothiophene-2-carboxylate5751-82-662 % similar Ethyl 2-bromothiazole-5-carboxylate41731-83-355 % similar Ethyl 2-thiophenecarboxylate2810-04-054 % similar Diethyl 2,5-furandicarboxylate53662-83-250 % similar 2-Acetyl-5-bromothiophene5370-25-250 % similar Ethyl 4-bromobenzoate5798-75-450 % similar Diethyl terephthalate636-09-950 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

4-Bromo-3-thiophenecarboxylic acid ethyl ester224449-33-6 4-Bromophenyl methyl sulfone3466-32-8 3-Bromophenylmethylsulfone34896-80-5 Ethyl2-bromothiophene-3-carboxylate632325-50-9

Elsewhere

PubChem CAS Common Chemistry NIST WebBook