5-(4-Chlorophenyl)-2-furaldehyde

C₁₁H₇ClO₂CAS 34035-03-5206.62 g/mol

Open in Covalent MOL file

Aldehyde Aryl halide

Properties

Molecular formula: C₁₁H₇ClO₂
Molar mass: 206.62 g/mol
Exact mass: 206.0135 Da
logP: 3.41Crippen estimate
Polar surface area: 30.2 Å²
H-bond donors / acceptors: 0 / 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

34035-03-5

SMILES

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

InChIKey

ROJGJNINTRCMBL-UHFFFAOYSA-N

InChI

InChI=1S/C11H7ClO2/c12-9-3-1-8(2-4-9)11-6-5-10(7-13)14-11/h1-7H

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Work with 5-(4-Chlorophenyl)-2-furaldehyde

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-furaldehyde13803-39-965 % similar 5-(4-Bromophenyl)furfural20005-42-964 % similar 5-(4-Nitrophenyl)-2-furancarboxaldehyde7147-77-555 % similar 5-Chloro-2-furaldehyde21508-19-050 % similar 2,5-Furandicarboxaldehyde823-82-550 % similar 5-(3-Trifluoromethyl-phenyl)-furan-2-carbaldehyde52130-30-049 % similar 4-(5-Formyl-2-furanyl)benzoic acid ethyl ester19247-87-148 % similar 5-(3-Nitrophenyl)-2-furaldehyde13148-43-147 % similar

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

Same formula

4-Chloronaphthalene-1-carboxylic acid1013-04-3 5-(3-Chlorophenyl)-2-furancarboxaldehyde22078-59-7 5-(2-Chlorophenyl)-2-furancarboxaldehyde34035-04-6

Elsewhere

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