4-Fluoro-1,2-dimethoxybenzene

C8H9FO2CAS 398-62-9156.16 g/mol

Open in Covalent MOL file
OFO
Aryl halideEther

Properties

Molecular formula
C8H9FO2
Molar mass
156.16 g/mol
Exact mass
156.0587 Da
logP
1.84Crippen estimate
Polar surface area
18.5 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
2

Hazards

Warning
Irritant (GHS07)

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

Precautionary statements

P210, P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P370+P378, P403, P403+P233, P405, P501

Identifiers

CAS number
398-62-9
SMILES
COC1=C(C=C(C=C1)F)OC
InChIKey
DAGKHJDZYJFWSO-UHFFFAOYSA-N
InChI
InChI=1S/C8H9FO2/c1-10-7-4-3-6(9)5-8(7)11-2/h3-5H,1-2H3

Weigh it out

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Names and synonyms

1 names
  • 1,2-Dimethoxy-4-fluorobenzene

Work with 4-Fluoro-1,2-dimethoxybenzene

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

2,4-Difluoroanisole452-10-876 % similar 1,4-Difluoro-2-methoxybenzene75626-17-469 % similar 5-Fluoro-2-methoxyaniline1978-39-867 % similar 4-Fluoro-1-methoxy-2-methylbenzene399-54-267 % similar 4-Fluoro-2-methoxyaniline450-91-967 % similar 2-Chloro-4-fluoro-1-methoxybenzene2267-25-664 % similar 2-Bromo-5-fluoroanisole450-88-464 % similar 1-Chloro-4-fluoro-2-methoxybenzene450-89-564 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

(4-Fluoro-3-methoxyphenyl)methanol128495-45-4 1-Fluoro-2,4-dimethoxybenzene17715-70-7 2-Fluoro-4-methoxybenzenemethanol405-09-4 1-Fluoro-3,5-dimethoxybenzene52189-63-6 2-Fluoro-1,4-dimethoxybenzene82830-49-7

Elsewhere

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