2-Fluoro-3-methoxybenzaldehyde

C₈H₇FO₂CAS 103438-88-6154.14 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
logP: 1.65Crippen estimate
Polar surface area: 26.3 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 2

Hazards

Danger

H302 Harmful if swallowed87.5% of notifiers
H315 Causes skin irritation100% of notifiers
H317 May cause an allergic skin reaction85.4% of notifiers
H318 Causes serious eye damage85.4% of notifiers
H319 Causes serious eye irritation14.6% of notifiers
H335 May cause respiratory irritation100% of notifiers

Aggregated from 48 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P272, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P305+P354+P338, P317, P319, P321, P330, P332+P317, P333+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

103438-88-6

SMILES

COC1=CC=CC(=C1F)C=O

InChIKey

LIHCOUDNHILORI-UHFFFAOYSA-N

InChI

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

Weigh it out

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

Work with 2-Fluoro-3-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

2-Methoxybenzaldehyde135-02-465 % similar 2,3-Dimethoxybenzaldehyde86-51-164 % similar 2-Chloro-3-methoxybenzaldehyde54881-49-162 % similar ortho-Vanillin148-53-860 % similar 2,2'-Dimethoxy-6-formylbiphenyl87306-84-157 % similar 2,6-Dimethoxybenzaldehyde3392-97-056 % similar 3-Fluoro-2-methoxybenzaldehyde74266-68-556 % similar 1,2-Difluoro-3-methoxybenzene134364-69-555 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

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 2-Fluoro-5-methylbenzoic acid321-12-0

Elsewhere

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