5-(3-Chlorophenyl)-2-furancarboxylic acid

C₁₁H₇ClO₃CAS 41019-44-7222.62 g/mol

Open in Covalent MOL file

Aryl halide Carboxylic acid

Properties

Molecular formula: C₁₁H₇ClO₃
Molar mass: 222.62 g/mol
Exact mass: 222.0084 Da
Melting point: 168–170 °C
logP: 3.30Crippen estimate
Polar surface area: 50.4 Å²
H-bond donors / acceptors: 1 / 2
Rotatable bonds: 2

Identifiers

CAS number

41019-44-7

SMILES

O=C(O)c1ccc(-c2cccc(Cl)c2)o1

InChIKey

OWEBZHHXEPQWQW-UHFFFAOYSA-N

InChI

InChI=1S/C11H7ClO3/c12-8-3-1-2-7(6-8)9-4-5-10(15-9)11(13)14/h1-6H,(H,13,14)

Weigh it out

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

Names and synonyms

3 names

2-Furancarboxylic acid, 5-(3-chlorophenyl)-
5-(m-Chlorophenyl)-2-furancarboxylic acid
5-(3-Chlorophenyl)-2-furoic acid

Work with 5-(3-Chlorophenyl)-2-furancarboxylic 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

5-(3-Nitro-phenyl)-furan-2-carboxylic acid13130-13-760 % similar 3′-Chloro[1,1′-biphenyl]-3-carboxylic acid168619-06-556 % similar 5-(3-Chlorophenyl)-2-furancarboxaldehyde22078-59-750 % similar 2,5-Furandicarboxylic acid3238-40-250 % similar 5-(4-Methoxyphenyl)-2-furancarboxylic acid52938-99-550 % similar 3-Chlorobenzoic acid535-80-850 % similar 5-Chloro-2-benzofurancarboxylic acid10242-10-149 % similar 5-(4-Nitrophenyl)-2-furancarboxylic acid28123-73-148 % similar

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

Elsewhere

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