chempirical

3-Fluoro-2-methylbenzaldehyde

C8H7FOCAS 147624-13-3138.14 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

Identifiers

CAS number
147624-13-3
SMILES
CC1=C(C=CC=C1F)C=O
InChIKey
HSUCYMJBFHBMTB-UHFFFAOYSA-N
InChI
InChI=1S/C8H7FO/c1-6-7(5-10)3-2-4-8(6)9/h2-5H,1H3

Weigh it out

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

Work with 3-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

2-Fluorobenzaldehyde446-52-661 % similar 2,3-Difluorobenzaldehyde2646-91-560 % similar 2,3-Dimethylbenzaldehyde5779-93-160 % similar 1,3-Difluoro-2-methylbenzene443-84-558 % similar 3-Fluoro-2-methoxybenzaldehyde74266-68-556 % similar 2′-Fluoro[1,1′-biphenyl]-2-carboxaldehyde223575-95-953 % similar 2,6-Difluorobenzaldehyde437-81-052 % similar 3-Fluoro-O-xylene443-82-350 % 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-4-methylbenzaldehyde177756-62-6 2-(4-Fluorophenyl)oxirane18511-62-1 3-Fluoro-5-methylbenzaldehyde189628-39-5 5-Fluoro-2-methylbenzaldehyde22062-53-9

Elsewhere

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