5-(3-Chlorophenyl)-2-furancarboxaldehyde

C11H7ClO2CAS 22078-59-7206.62 g/mol

Open in Covalent MOL file
OClO
AldehydeAryl halide

Properties

Molecular formula
C11H7ClO2
Molar mass
206.62 g/mol
Exact mass
206.0135 Da
Melting point
97.5–98 °C
logP
3.41Crippen estimate
Polar surface area
30.2 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
2

Hazards

Warning
Irritant (GHS07)

Aggregated from 40 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

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

Identifiers

CAS number
22078-59-7
SMILES
O=Cc1ccc(-c2cccc(Cl)c2)o1
InChIKey
FIGLPGGFAIZKFQ-UHFFFAOYSA-N
InChI
InChI=1S/C11H7ClO2/c12-9-3-1-2-8(6-9)11-5-4-10(7-13)14-11/h1-7H

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Names and synonyms

5 names
  • 2-Furancarboxaldehyde, 5-(3-chlorophenyl)-
  • 2-Furaldehyde, 5-(m-chlorophenyl)-
  • 5-(m-Chlorophenyl)-2-furaldehyde
  • 5-(3-Chlorophenyl)-2-furaldehyde
  • 5-(3-Chlorophenyl)furfural

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

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-Phenyl-2-furaldehyde13803-39-964 % similar 5-(3-Trifluoromethyl-phenyl)-furan-2-carbaldehyde52130-30-060 % similar 5-(3-Nitrophenyl)-2-furaldehyde13148-43-157 % similar 3'-Chloro-[1,1'-biphenyl]-4-carbaldehyde400744-49-251 % similar 5-(4-Bromophenyl)furfural20005-42-950 % similar 5-(3-Chlorophenyl)-2-furancarboxylic acid41019-44-750 % similar 5-Chloro-2-furaldehyde21508-19-046 % similar 3-Chlorobenzaldehyde587-04-246 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

4-Chloronaphthalene-1-carboxylic acid1013-04-3 5-(4-Chlorophenyl)-2-furaldehyde34035-03-5 5-(2-Chlorophenyl)-2-furancarboxaldehyde34035-04-6

Elsewhere

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