chempirical

3-Fluoro-4-methylbenzaldehyde

C8H7FOCAS 177756-62-6138.14 g/mol

Open in Covalent MOL file
OF
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
177756-62-6
SMILES
Cc1ccc(C=O)cc1F
InChIKey
UFPBMVRONDLOGK-UHFFFAOYSA-N
InChI
InChI=1S/C8H7FO/c1-6-2-3-7(5-10)4-8(6)9/h2-5H,1H3

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Names and synonyms

1 names
  • Benzaldehyde, 3-fluoro-4-methyl-

Work with 3-Fluoro-4-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

3,4-Difluorobenzaldehyde34036-07-264 % similar 3,4-Dimethylbenzaldehyde5973-71-764 % similar 3-Fluoro-4-iodobenzaldehyde1003709-57-661 % similar 4-Bromo-3-fluorobenzaldehyde133059-43-556 % similar 3-Fluoro-4-hydroxybenzaldehyde405-05-056 % similar 4-Chloro-3-fluorobenzaldehyde5527-95-756 % similar 3-Fluoro-4-methoxybenzaldehyde351-54-256 % similar 2,4-Difluoro-1-methylbenzene452-76-655 % 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-(4-Fluorophenyl)oxirane18511-62-1 3-Fluoro-5-methylbenzaldehyde189628-39-5 4′-Fluoroacetophenone403-42-9 2′-Fluoroacetophenone445-27-2 2-Fluoro-1-phenylethanone450-95-3

Elsewhere

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