2-Fluoroanisole
Properties
- Molecular formula
- C7H7FO
- Molar mass
- 126.13 g/mol
- Exact mass
- 126.0481 Da
- Density
- 1.124 g/mL (at 25 °C)
- Melting point
- −39 °C
- Boiling point
- 154.5 °C
- logP
- 1.83Crippen estimate
- Polar surface area
- 9.2 Ų
- H-bond donors / acceptors
- 0 / 1
- Rotatable bonds
- 1
Hazards
Warning
- H226 Flammable liquid and vapor100% of notifiers
Aggregated from 48 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P210, P233, P240, P241, P242, P243, P280, P303+P361+P353, P370+P378, P403+P235, P501
Identifiers
CAS number
321-28-8SMILES
COc1ccccc1FInChIKey
JIXDOBAQOWOUPA-UHFFFAOYSA-NInChI
InChI=1S/C7H7FO/c1-9-7-5-3-2-4-6(7)8/h2-5H,1H3Weigh it out
Type any one amount. The others follow from the molar mass and density.
Names and synonyms
8 names
- Benzene, 1-fluoro-2-methoxy-
- Anisole, o-fluoro-
- 1-Fluoro-2-methoxybenzene
- o-Fluoroanisole
- 2-Fluoromethoxybenzene
- 2-Fluoro-1-methoxybenzene
- 2-Methoxyfluorobenzene
- NSC 10339
Work with 2-Fluoroanisole
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
Boiling point under vacuumAt any pressure, from its normal boiling point
Isotope patternExact mass and the mass spectrum pattern
Similar compounds
1,2-Difluoro-3-methoxybenzene134364-69-565 % similar
1,2-Dimethoxybenzene91-16-762 % similar
2-Bromo-3-fluoroanisole446-59-361 % similar
2-Fluoro-6-methoxyaniline446-61-761 % similar
3-Fluoro-2-iodoanisole7079-54-161 % similar
2-Fluoro-6-methoxyphenol73943-41-661 % similar
2-Fluoro-6-methoxybenzonitrile94088-46-760 % similar
1,3-Difluoro-2-methoxybenzene437-82-156 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.