chempirical

4-Chloro-2-iodoanisole

C7H6ClIOCAS 52807-27-9268.48 g/mol

Open in Covalent MOL file
OClI
Aryl halideEther

Properties

Molecular formula
C7H6ClIO
Molar mass
268.48 g/mol
Exact mass
267.9152 Da
logP
2.95Crippen 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
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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