3-Fluoro-2-methoxybenzaldehyde

C8H7FO2CAS 74266-68-5154.14 g/mol

Open in Covalent MOL file
OFO
AldehydeAryl halideEther

Properties

Molecular formula
C8H7FO2
Molar mass
154.14 g/mol
Exact mass
154.0430 Da
Melting point
47–48 °C
Boiling point
82 °C (at 12 Torr)
logP
1.65Crippen estimate
Polar surface area
26.3 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
2

Hazards

Warning
Irritant (GHS07)

Aggregated from 6 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
74266-68-5
SMILES
COc1c(F)cccc1C=O
InChIKey
UMLOYMZBAUIGKF-UHFFFAOYSA-N
InChI
InChI=1S/C8H7FO2/c1-11-8-6(5-10)3-2-4-7(8)9/h2-5H,1H3

Weigh it out

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

Names and synonyms

1 names
  • Benzaldehyde, 3-fluoro-2-methoxy-

Work with 3-Fluoro-2-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

2,3-Dimethoxybenzaldehyde86-51-164 % similar 1,3-Difluoro-2-methoxybenzene437-82-162 % similar 3-Fluoro-2-methylbenzaldehyde147624-13-356 % similar 2-Fluorobenzaldehyde446-52-655 % similar 2,3-Difluorobenzaldehyde2646-91-555 % similar 2,3,4-Trimethoxybenzaldehyde2103-57-353 % similar 3-Fluoro-2-methoxyaniline437-83-253 % similar 2-Chloro-6-fluoroanisole53145-38-353 % 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

PubChem CAS Common Chemistry NIST WebBook