chempirical

3-Fluoro-2-iodoanisole

C7H6FIOCAS 7079-54-1252.03 g/mol

Open in Covalent MOL file
OFI
Aryl halideEther

Properties

Molecular formula
C7H6FIO
Molar mass
252.03 g/mol
Exact mass
251.9447 Da
logP
2.44Crippen estimate
Polar surface area
9.2 Ų
H-bond donors / acceptors
0 / 1
Rotatable bonds
1

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number
7079-54-1
SMILES
COC1=C(C(=CC=C1)F)I
InChIKey
CPTMVKLYWHEOMG-UHFFFAOYSA-N
InChI
InChI=1S/C7H6FIO/c1-10-6-4-2-3-5(8)7(6)9/h2-4H,1H3

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Names and synonyms

1 names
  • 1-Fluoro-2-iodo-3-methoxybenzene

Work with 3-Fluoro-2-iodoanisole

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-Fluoroanisole321-28-861 % similar 1,2-Difluoro-3-methoxybenzene134364-69-560 % similar 1,3-Difluoro-2-iodobenzene13697-89-758 % similar 2-Bromo-3-fluoroanisole446-59-356 % similar 2-Fluoro-6-methoxyaniline446-61-756 % similar 2-Fluoro-6-methoxyphenol73943-41-656 % similar 1-Fluoro-2-iodo-3-methylbenzene883502-14-553 % similar 1,3-Difluoro-2-methoxybenzene437-82-152 % similar

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

Elsewhere

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