3-Fluoro-5-methylbenzaldehyde

C₈H₇FOCAS 189628-39-5138.14 g/mol

Open in Covalent MOL file

Aldehyde Aryl halide

Properties

Molecular formula: C₈H₇FO
Molar mass: 138.14 g/mol
Exact mass: 138.0481 Da
logP: 1.95Crippen estimate
Polar surface area: 17.1 Å²
H-bond donors / acceptors: 0 / 1
Rotatable bonds: 1

Identifiers

CAS number

189628-39-5

SMILES

Cc1cc(F)cc(C=O)c1

InChIKey

XXPITUUQKCGWNR-UHFFFAOYSA-N

InChI

InChI=1S/C8H7FO/c1-6-2-7(5-10)4-8(9)3-6/h2-5H,1H3

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Type any one amount. The others follow from the molar mass.

Names and synonyms

1 names

Benzaldehyde, 3-fluoro-5-methyl-

Work with 3-Fluoro-5-methylbenzaldehyde

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

3,5-Difluorobenzaldehyde32085-88-468 % similar 3,5-Difluorotoluene117358-51-756 % similar 3-Fluoro-5-formylbenzonitrile1003708-42-650 % similar 3-Fluorobenzaldehyde456-48-450 % similar 3-Methylbenzaldehyde620-23-548 % similar 5-Fluoronicotinaldehyde39891-04-847 % similar 3,4,5-Trifluorobenzaldehyde132123-54-747 % similar 3-Fluoro-5-methylphenol216976-31-747 % similar

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

Same formula

2-Fluoro-6-methylbenzaldehyde117752-04-2 (R)-(4-Fluorophenyl)oxirane134356-73-3 4-Fluoro-3-methylbenzaldehyde135427-08-6 3-Fluoro-4-methylbenzaldehyde177756-62-6 2-(4-Fluorophenyl)oxirane18511-62-1 4′-Fluoroacetophenone403-42-9 2′-Fluoroacetophenone445-27-2 2-Fluoro-1-phenylethanone450-95-3

Elsewhere

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