3-Fluoro-4-methoxybenzaldehyde

C₈H₇FO₂CAS 351-54-2154.14 g/mol

Open in Covalent MOL file

Aldehyde Aryl halide Ether

Properties

Molecular formula: C₈H₇FO₂
Molar mass: 154.14 g/mol
Exact mass: 154.0430 Da
Melting point: 31 °C
logP: 1.65Crippen estimate
Polar surface area: 26.3 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 2

Hazards

Warning

H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation90.9% of notifiers
H351 Suspected of causing cancer18.2% of notifiers
H413 May cause long lasting harmful effects to aquatic life18.2% of notifiers

Aggregated from 11 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P203, P261, P264, P264+P265, P271, P273, P280, P302+P352, P304+P340, P305+P351+P338, P318, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

351-54-2

SMILES

COc1ccc(C=O)cc1F

InChIKey

SOQCZBSZZLWDGU-UHFFFAOYSA-N

InChI

InChI=1S/C8H7FO2/c1-11-8-3-2-6(5-10)4-7(8)9/h2-5H,1H3

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Names and synonyms

4 names

Benzaldehyde, 3-fluoro-4-methoxy-
3-Fluoro-p-anisaldehyde
4-Methoxy-3-fluorobenzaldehyde
p-Anisaldehyde, 3-fluoro-

Work with 3-Fluoro-4-methoxybenzaldehyde

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

Veratraldehyde120-14-968 % similar 4-(Difluoromethoxy)-3-methoxybenzaldehyde162401-70-964 % similar 3,4-Difluorobenzaldehyde34036-07-263 % similar 3-Fluoro-4-(trifluoromethoxy)benzaldehyde473917-15-663 % similar 4-Methoxy-3-methylbenzaldehyde32723-67-462 % similar 3,5-Difluoro-4-methoxybenzaldehyde654-11-561 % similar 3-Iodo-4-methoxybenzaldehyde2314-37-660 % similar 3-Bromo-4-methoxybenzaldehyde34841-06-060 % similar

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

Same formula

2-Fluoro-3-methoxybenzaldehyde103438-88-6 2-Fluoro-5-methoxybenzaldehyde105728-90-3 4-Fluoro-3-methoxybenzaldehyde128495-46-5 2-Fluoro-6-methoxybenzaldehyde146137-74-8 4'-Fluoro-2'-hydroxyacetophenone1481-27-2 Fluorophenylacetic acid1578-63-8 5-Fluoro-2-methoxybenzaldehyde19415-51-1 2-Fluoro-3-methylbenzoic acid315-31-1

Elsewhere

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