3-(4-Chlorophenyl)-2,1-benzisoxazole-5-carbaldehyde

C₁₄H₈ClNO₂CAS 328272-55-5257.67 g/mol

Open in Covalent MOL file

Aldehyde Aryl halide

Properties

Molecular formula: C₁₄H₈ClNO₂
Molar mass: 257.67 g/mol
Exact mass: 257.0244 Da
logP: 3.96Crippen estimate
Polar surface area: 43.1 Å²
H-bond donors / acceptors: 0 / 3
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

328272-55-5

SMILES

C1=CC(=CC=C1C2=C3C=C(C=CC3=NO2)C=O)Cl

InChIKey

WYJJMTQGJWFVPV-UHFFFAOYSA-N

InChI

InChI=1S/C14H8ClNO2/c15-11-4-2-10(3-5-11)14-12-7-9(8-17)1-6-13(12)16-18-14/h1-8H

Weigh it out

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Names and synonyms

1 names

3-(4-Chlorophenyl)benzo[c]isoxazole-5-carbaldehyde

Work with 3-(4-Chlorophenyl)-2,1-benzisoxazole-5-carbaldehyde

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

3-(4-Methylphenyl)-2,1-benzisoxazole-5-carbaldehyde328547-38-271 % similar 5-Chloro-3-phenyl-2,1-benzisoxazole719-64-257 % similar 4'-Chlorobiphenyl-3-carbaldehyde139502-80-048 % similar 4-Chlorobenzaldehyde104-88-146 % similar 3′,5′-Dichloro[1,1′-biphenyl]-4-carboxaldehyde221018-04-843 % similar 3'-Chloro-[1,1'-biphenyl]-4-carbaldehyde400744-49-241 % similar 4-(4-Chlorophenoxy)benzaldehyde61343-99-540 % similar 3-Chlorobenzaldehyde587-04-239 % similar

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

Same formula

1-Amino-5-chloroanthraquinone117-11-3 2-(4-Chlorophenyl)-1H-isoindole-1,3(2H)-dione7386-21-2

Elsewhere

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