4,5-Dibromo-2-thiophenecarboxylic acid

C5H2Br2O2SCAS 6324-10-3285.94 g/mol

Open in Covalent MOL file
OHOBrBrS
Aryl halideCarboxylic 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 Ų
H-bond donors / acceptors
1 / 2
Rotatable bonds
1

Hazards

Warning
Irritant (GHS07)

Aggregated from 43 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P264, P270, P301+P317, P330, P501

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)

Weigh it out

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Names and synonyms

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

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

4-Bromo-benzo[B]thiophene-2-carboxylic acid5194-37-654 % similar 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 2,5-Dibromothiophene-3,4-dicarboxylic acid190723-12-748 % similar 5-Bromothiophene-2-carboxylic 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

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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