3-Phenyl-2,1-benzisoxazole-5-carbaldehyde

C₁₄H₉NO₂CAS 94752-06-4223.23 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₁₄H₉NO₂
Molar mass: 223.23 g/mol
Exact mass: 223.0633 Da
logP: 3.31Crippen 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

94752-06-4

SMILES

C1=CC=C(C=C1)C2=C3C=C(C=CC3=NO2)C=O

InChIKey

HBKIUYNVKNTXMD-UHFFFAOYSA-N

InChI

InChI=1S/C14H9NO2/c16-9-10-6-7-13-12(8-10)14(17-15-13)11-4-2-1-3-5-11/h1-9H

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Names and synonyms

1 names

3-Phenyl-2,1-benzoxazole-5-carbaldehyde

Work with 3-Phenyl-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-Chlorophenyl)-2,1-benzisoxazole-5-carbaldehyde328272-55-573 % similar 3-(4-Methylphenyl)-2,1-benzisoxazole-5-carbaldehyde328547-38-273 % similar 5-Chloro-3-phenyl-2,1-benzisoxazole719-64-257 % similar [1,1′-Biphenyl]-3-carboxaldehyde1204-60-045 % similar [1,1′-Biphenyl]-4-carboxaldehyde3218-36-844 % similar Quinoxaline-6-carbaldehyde130345-50-540 % similar 6-Quinolinecarbaldehyde4113-04-640 % similar 2,1,3-Benzothiadiazole-5-carbaldehyde71605-72-639 % similar

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

Same formula

2-Aminoanthraquinone117-79-3 1-(Naphthalen-1-yl)-2,5-dihydro-1H-pyrrole-2,5-dione3369-39-9 N-Phenylphthalimide520-03-6 Acridine-9-carboxylic acid5336-90-3 4'-Cyano[1,1'-biphenyl]-4-carboxylic acid5728-46-1 9-Nitroanthracene602-60-8 1-Phenylisatin723-89-7 1-Aminoanthraquinone82-45-1

Elsewhere

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