Ethyl 5-bromothiophene-2-carboxylate

C7H7BrO2SCAS 5751-83-7235.09 g/mol

Open in Covalent MOL file
OOSBr
Aryl halideEster

Properties

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

Hazards

Warning
Irritant (GHS07)

Aggregated from 5 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

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 1-Bromo-4-(methylsulphonyl)benzene3466-32-8 3-Bromophenylmethylsulfone34896-80-5 Ethyl2-bromothiophene-3-carboxylate632325-50-9

Elsewhere

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