2-Chloro-1-iodo-4-methylbenzene

C₇H₆ClICAS 116632-42-9252.48 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₇H₆ClI
Molar mass: 252.48 g/mol
Exact mass: 251.9203 Da
logP: 3.25Crippen estimate
Polar surface area: 0.0 Å²
H-bond donors / acceptors: 0 / 0
Rotatable bonds: 0

Identifiers

CAS number

116632-42-9

SMILES

Cc1ccc(I)c(Cl)c1

InChIKey

IFXSHBHXDHPWEO-UHFFFAOYSA-N

InChI

InChI=1S/C7H6ClI/c1-5-2-3-7(9)6(8)4-5/h2-4H,1H3

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

Names and synonyms

2 names

Benzene, 2-chloro-1-iodo-4-methyl-
3-Chloro-4-iodotoluene

Work with 2-Chloro-1-iodo-4-methylbenzene

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

1-Iodo-2,4-dimethylbenzene4214-28-260 % similar Chloro-P-xylene95-72-760 % similar 3,4-Dichlorotoluene95-75-058 % similar 2,4-Dichloro-1-iodobenzene29898-32-658 % similar 2-Iodo-1,4-dimethylbenzene1122-42-554 % similar 2-Iodo-5-methylbenzenamine13194-69-954 % similar 3-Chloro-4-iodobenzenamine135050-44-154 % similar 4-Bromo-2-chloro-1-iodobenzene31928-47-954 % similar

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

Same formula

1-Chloro-4-iodo-2-methylbenzene116632-41-8 2-Iodobenzyl chloride59473-45-9 2-Chloro-4-iodo-1-methylbenzene83846-48-4

Elsewhere

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