5-(4-Chlorophenyl)-2-furoic acid

C₁₁H₇ClO₃CAS 41019-45-8222.62 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
logP: 3.30Crippen estimate
Polar surface area: 50.4 Å²
H-bond donors / acceptors: 1 / 2
Rotatable bonds: 2

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

41019-45-8

SMILES

C1=CC(=CC=C1C2=CC=C(O2)C(=O)O)Cl

InChIKey

XIPQHWUSDHTXOO-UHFFFAOYSA-N

InChI

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

Weigh it out

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

Work with 5-(4-Chlorophenyl)-2-furoic 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-Phenylfuran-2-carboxylic acid52938-97-368 % similar 5-(4-Fluorophenyl)furan-2-carboxylic acid73269-32-667 % similar 5-(4-Methoxyphenyl)-2-furancarboxylic acid52938-99-562 % similar 5-(4-Nitrophenyl)-2-furancarboxylic acid28123-73-159 % similar 2,5-Furandicarboxylic acid3238-40-255 % similar 4'-Chloro-biphenyl-4-carboxylic acid5748-41-454 % similar 5-Chlorofuran-2-carboxylic acid618-30-454 % similar 5-(4-Chlorophenyl)isoxazole-3-carboxylic acid33282-22-354 % similar

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

Same formula

5-(2-Chlorophenyl)-2-furoic acid41019-43-6 5-(3-Chlorophenyl)-2-furancarboxylic acid41019-44-7 6-Chloro-3-formyl-7-methylchromone64481-12-5

Elsewhere

PubChem CAS Common Chemistry NIST WebBook