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

C11H7ClO3CAS 41019-44-7222.62 g/mol

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OOHClO
Aryl halideCarboxylic 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 Ų
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.

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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)

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Names and synonyms

4 names
  • 2-Furancarboxylic acid, 5-(3-chlorophenyl)-
  • 5-(m-Chlorophenyl)-2-furancarboxylic acid
  • 5-(3-Chlorophenyl)-2-furoic acid
  • 5-(3-Chlorophenyl)furan-2-carboxylic 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-Phenylfuran-2-carboxylic acid52938-97-367 % similar 5-(3-(Trifluoromethyl)phenyl)-2-furoic acid54022-99-063 % similar 5-(3-Nitro-phenyl)-furan-2-carboxylic acid13130-13-760 % similar 3′-Chloro[1,1′-biphenyl]-3-carboxylic acid168619-06-556 % similar 3'-Chloro-biphenyl-4-carboxylic acid5728-43-855 % similar 5-(4-Fluorophenyl)furan-2-carboxylic acid73269-32-654 % similar 5-(3-Chlorophenyl)-2-furancarboxaldehyde22078-59-750 % similar 2,5-Furandicarboxylic acid3238-40-250 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

5-(2-Chlorophenyl)-2-furoic acid41019-43-6 5-(4-Chlorophenyl)-2-furoic acid41019-45-8 6-Chloro-3-formyl-7-methylchromone64481-12-5

Elsewhere

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