4-Fluoro-3-methylbenzaldehyde

C8H7FOCAS 135427-08-6138.14 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

Hazards

Warning
Irritant (GHS07)

Aggregated from 7 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number
135427-08-6
SMILES
CC1=C(C=CC(=C1)C=O)F
InChIKey
NRFKZFFVTGGEQF-UHFFFAOYSA-N
InChI
InChI=1S/C8H7FO/c1-6-4-7(5-10)2-3-8(6)9/h2-5H,1H3

Weigh it out

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

Work with 4-Fluoro-3-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-iodobenzaldehyde1003709-57-656 % similar 4-Hydroxy-3-methylbenzaldehyde15174-69-356 % similar 3-Chloro-4-fluorobenzaldehyde34328-61-556 % similar 3-Bromo-4-fluorobenzaldehyde77771-02-956 % similar 4-Fluoro-3-methoxybenzaldehyde128495-46-556 % similar 4-Methoxy-3-methylbenzaldehyde32723-67-453 % 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 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 5-Fluoro-2-methylbenzaldehyde22062-53-9

Elsewhere

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