3-Fluoro-2-iodoanisole

C₇H₆FIOCAS 7079-54-1252.03 g/mol

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Aryl halide Ether

Properties

Molecular formula: C₇H₆FIO
Molar mass: 252.03 g/mol
Exact mass: 251.9447 Da
logP: 2.44Crippen estimate
Polar surface area: 9.2 Å²
H-bond donors / acceptors: 0 / 1
Rotatable bonds: 1

Hazards

Danger

H301 Toxic if swallowed97.6% of notifiers

Aggregated from 41 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P264, P270, P301+P316, P321, P330, P405, P501

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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