4,5-Dibromo-2-thiophenecarboxylic acid

C₅H₂Br₂O₂SCAS 6324-10-3285.94 g/mol

Open in Covalent MOL file

Aryl halide Carboxylic acid

Properties

Molecular formula: C₅H₂Br₂O₂S
Molar mass: 285.94 g/mol
Exact mass: 283.8142 Da
Melting point: 227–228 °C
logP: 2.97Crippen estimate
Polar surface area: 37.3 Å²
H-bond donors / acceptors: 1 / 2
Rotatable bonds: 1

Identifiers

CAS number

6324-10-3

SMILES

O=C(O)c1cc(Br)c(Br)s1

InChIKey

USFXRYVNRUMABJ-UHFFFAOYSA-N

InChI

InChI=1S/C5H2Br2O2S/c6-2-1-3(5(8)9)10-4(2)7/h1H,(H,8,9)

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Names and synonyms

3 names

2-Thiophenecarboxylic acid, 4,5-dibromo-
2,3-Dibromo-5-thiophenecarboxylic acid
NSC 30091

Work with 4,5-Dibromo-2-thiophenecarboxylic acid

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

Dithieno[3,2-B:2′,3′-D]thiophene-2,6-dicarboxylic acid502764-53-648 % similar 2,5-Dibromo-1,4-benzenedicarboxylic acid13731-82-348 % similar 5-Bromo-2-thiophenecarboxylic acid7311-63-947 % similar 2,5-Thiophenedicarboxylic acid4282-31-947 % similar 6-Bromobenzo[B]thiophene-2-carboxylic acid19075-58-246 % similar 4-Bromo-2-thiophenecarboxylic acid16694-18-146 % similar 4,5-Dimethyl-2-thiophenecarboxylic acid40808-24-044 % similar 4,5,6,7-Tetrahydrobenzo[B]thiophene-2-carboxylic acid40133-07-143 % similar

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

Elsewhere

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