3-Fluoro-2-methoxybenzaldehyde

C₈H₇FO₂CAS 74266-68-5154.14 g/mol

Open in Covalent MOL file

Aldehyde Aryl halide Ether

Properties

Molecular formula: C₈H₇FO₂
Molar mass: 154.14 g/mol
Exact mass: 154.0430 Da
Melting point: 47–48 °C
Boiling point: 82 °C (at 12 Torr)
logP: 1.65Crippen estimate
Polar surface area: 26.3 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 2

Identifiers

CAS number

74266-68-5

SMILES

COc1c(F)cccc1C=O

InChIKey

UMLOYMZBAUIGKF-UHFFFAOYSA-N

InChI

InChI=1S/C8H7FO2/c1-11-8-6(5-10)3-2-4-7(8)9/h2-5H,1H3

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Names and synonyms

1 names

Benzaldehyde, 3-fluoro-2-methoxy-

Work with 3-Fluoro-2-methoxybenzaldehyde

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

2,3-Dimethoxybenzaldehyde86-51-164 % similar 1,3-Difluoro-2-methoxybenzene437-82-162 % similar 2-Fluorobenzaldehyde446-52-655 % similar 2,3-Difluorobenzaldehyde2646-91-555 % similar 2,3,4-Trimethoxybenzaldehyde2103-57-353 % similar 2-Fluoro-4-methoxybenzaldehyde331-64-651 % similar 2-Ethoxy-3-methoxybenzaldehyde66799-97-150 % similar 2,5-Difluoro-4-methoxybenzaldehyde879093-08-049 % similar

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

Same formula

2-Fluoro-3-methoxybenzaldehyde103438-88-6 2-Fluoro-5-methoxybenzaldehyde105728-90-3 4-Fluoro-3-methoxybenzaldehyde128495-46-5 2-Fluoro-6-methoxybenzaldehyde146137-74-8 1-(4-Fluoro-2-hydroxyphenyl)ethanone1481-27-2 α-Fluorobenzeneacetic acid1578-63-8 5-Fluoro-2-methoxybenzaldehyde19415-51-1 3-Fluorophenylacetic acid331-25-9

Elsewhere

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