4,5-Dibromofuran-2-carboxylic acid

C₅H₂Br₂O₃CAS 2434-03-9269.88 g/mol

Open in Covalent MOL file

Aryl halide Carboxylic acid

Properties

Molecular formula: C₅H₂Br₂O₃
Molar mass: 269.88 g/mol
Exact mass: 267.8371 Da
logP: 2.50Crippen estimate
Polar surface area: 50.4 Å²
H-bond donors / acceptors: 1 / 2
Rotatable bonds: 1

Hazards

Warning

H302 Harmful if swallowed90.9% of notifiers
H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation100% of notifiers

Aggregated from 44 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

2434-03-9

SMILES

C1=C(OC(=C1Br)Br)C(=O)O

InChIKey

BHUVICYZDBUMIU-UHFFFAOYSA-N

InChI

InChI=1S/C5H2Br2O3/c6-2-1-3(5(8)9)10-4(2)7/h1H,(H,8,9)

Weigh it out

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

Names and synonyms

1 names

2,3-Dibromofuran-5-carboxylic acid

Work with 4,5-Dibromofuran-2-carboxylic 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

Chelidonic acid99-32-150 % similar 2,5-Dibromo-1,4-benzenedicarboxylic acid13731-82-348 % similar 5-Bromo-2-furancarboxylic acid585-70-647 % similar 2,5-Furandicarboxylic acid3238-40-247 % similar 5-Bromo-2-benzofurancarboxylic acid10242-11-246 % similar Chelidonic acid monohydrate6003-94-746 % similar 2-Bromobenzoic acid88-65-345 % similar 4,5-Dimethylfuran-2-carboxylic acid89639-83-844 % similar

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

Elsewhere

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