chempirical

1-Fluoro-3-methoxybenzene

C7H7FOCAS 456-49-5126.13 g/mol

Open in Covalent MOL file
OF
Aryl halideEther

Properties

Molecular formula
C7H7FO
Molar mass
126.13 g/mol
Exact mass
126.0481 Da
Density
1.107 g/mL (at 20 °C)
Melting point
−35 °C
Boiling point
159 °C
logP
1.83Crippen estimate
Polar surface area
9.2 Ų
H-bond donors / acceptors
0 / 1
Rotatable bonds
1

Identifiers

CAS number
456-49-5
SMILES
COc1cccc(F)c1
InChIKey
MFJNOXOAIFNSBX-UHFFFAOYSA-N
InChI
InChI=1S/C7H7FO/c1-9-7-4-2-3-6(8)5-7/h2-5H,1H3

Weigh it out

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

Names and synonyms

7 names
  • Benzene, 1-fluoro-3-methoxy-
  • Anisole, m-fluoro-
  • 3-Fluoroanisole
  • m-Fluoroanisole
  • m-Fluorophenyl methyl ether
  • NSC 88277
  • 3-Methoxyphenyl fluoride

Work with 1-Fluoro-3-methoxybenzene

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

1,3-Dimethoxybenzene151-10-068 % similar 1-Fluoro-3,5-dimethoxybenzene52189-63-663 % similar 1,3-Difluoro-5-methoxybenzene93343-10-363 % similar 4-Fluoroanisole459-60-956 % similar 3-Methylanisole100-84-556 % similar 3-Methoxybenzenethiol15570-12-456 % similar 3-Chloroanisole2845-89-856 % similar 1-Chloro-3-fluoro-5-methoxybenzene202925-08-455 % similar

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

Same formula

3-Fluoro-5-methylphenol216976-31-7 2-Fluoroanisole321-28-8 3-Fluoro-2-methylphenol443-87-8 2-Fluorobenzyl alcohol446-51-5 4-Fluoro-3-methylphenol452-70-0 4-Fluoro-2-methylphenol452-72-2 3-Fluoro-4-methylphenol452-78-8 2-Fluoro-4-methylphenol452-81-3

Elsewhere

PubChem CAS Common Chemistry NIST WebBook