chempirical

5-Chlorofuran-2-carboxylic acid

C5H3ClO3CAS 618-30-4146.53 g/mol

Open in Covalent MOL file
OClOHO
Aryl halideCarboxylic acid

Properties

Molecular formula
C5H3ClO3
Molar mass
146.53 g/mol
Exact mass
145.9771 Da
logP
1.63Crippen estimate
Polar surface area
50.4 Ų
H-bond donors / acceptors
1 / 2
Rotatable bonds
1

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
618-30-4
SMILES
C1=C(OC(=C1)Cl)C(=O)O
InChIKey
NNTBDUTXMIMRKK-UHFFFAOYSA-N
InChI
InChI=1S/C5H3ClO3/c6-4-2-1-3(9-4)5(7)8/h1-2H,(H,7,8)

Weigh it out

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Work with 5-Chlorofuran-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

2,5-Furandicarboxylic acid3238-40-268 % similar 5-Methyl-2-furoic acid1917-15-355 % similar 5-Bromo-2-furancarboxylic acid585-70-655 % similar 5-(4-Chlorophenyl)-2-furoic acid41019-45-854 % similar 5-Formyl-2-furancarboxylic acid13529-17-452 % similar 5-(Hydroxymethyl)-2-furancarboxylic acid6338-41-652 % similar 5-(2-Chlorophenyl)-2-furoic acid41019-43-651 % similar 5-(3-Chlorophenyl)-2-furancarboxylic acid41019-44-750 % similar

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

Elsewhere

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