4-Chloro-2-iodoanisole

C₇H₆ClIOCAS 52807-27-9268.48 g/mol

Open in Covalent MOL file

Aryl halide Ether

Properties

Molecular formula: C₇H₆ClIO
Molar mass: 268.48 g/mol
Exact mass: 267.9152 Da
logP: 2.95Crippen estimate
Polar surface area: 9.2 Å²
H-bond donors / acceptors: 0 / 1
Rotatable bonds: 1

Hazards

Warning

H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation66.7% of notifiers

Aggregated from 3 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

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

Identifiers

CAS number

52807-27-9

SMILES

COC1=C(C=C(C=C1)Cl)I

InChIKey

CXXXAGIYCFOGHA-UHFFFAOYSA-N

InChI

InChI=1S/C7H6ClIO/c1-10-7-3-2-5(8)4-6(7)9/h2-4H,1H3

Weigh it out

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

Work with 4-Chloro-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

4-Chloro-1-methoxy-2-methylbenzene3260-85-363 % similar 2,4-Dichloroanisole553-82-260 % similar 4-Chloro-2-methoxy-1-methylbenzene40794-04-558 % similar 5-Chloro-2-methoxyaniline95-03-458 % similar 4-Chloro-2-fluoro-1-methoxybenzene452-09-556 % similar 2-Bromo-4-chloroanisole60633-25-256 % similar 3-Iodo-4-methoxybenzenamine74587-12-556 % similar 1,4-Diiodo-2,5-dimethoxybenzene51560-21-556 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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