chempirical

4-Fluoro-2-methylbenzaldehyde

C8H7FOCAS 63082-45-1138.14 g/mol

Open in Covalent MOL file
FO
AldehydeAryl 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 Ų
H-bond donors / acceptors
0 / 1
Rotatable bonds
1

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
63082-45-1
SMILES
CC1=C(C=CC(=C1)F)C=O
InChIKey
ADCFIKGEGWFWEA-UHFFFAOYSA-N
InChI
InChI=1S/C8H7FO/c1-6-4-8(9)3-2-7(6)5-10/h2-5H,1H3

Weigh it out

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Work with 4-Fluoro-2-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

5-Fluoro-2-methylbenzaldehyde22062-53-972 % similar 4-Fluoro-2-methoxybenzaldehyde450-83-961 % similar 2,4-Difluorobenzaldehyde1550-35-260 % similar 2,4-Dimethylbenzaldehyde15764-16-660 % similar 4-Fluoro-2-hydroxybenzaldehyde348-28-758 % similar 4-Bromo-2-methylbenzaldehyde24078-12-456 % similar 5-Fluorosalicylaldehyde347-54-656 % similar 4-Chloro-2-methylbenzaldehyde40137-29-956 % 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 2-Fluoro-4-methylbenzaldehyde146137-80-6 3-Fluoro-2-methylbenzaldehyde147624-13-3 3-Fluoro-4-methylbenzaldehyde177756-62-6 2-(4-Fluorophenyl)oxirane18511-62-1 3-Fluoro-5-methylbenzaldehyde189628-39-5

Elsewhere

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