1-Chloro-4-iodo-2-methylbenzene

C₇H₆ClICAS 116632-41-8252.48 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

116632-41-8

SMILES

Cc1cc(I)ccc1Cl

InChIKey

MMBDKGFWRIYSRD-UHFFFAOYSA-N

InChI

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

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

Names and synonyms

2 names

Benzene, 1-chloro-4-iodo-2-methyl-
2-Chloro-5-iodotoluene

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

1,2-Dichloro-4-iodobenzene20555-91-363 % similar 1-Iodo-3,4-dimethylbenzene31599-61-858 % similar 2,5-Dichlorotoluene19398-61-958 % similar 1-Chloro-2-fluoro-4-iodobenzene202982-67-054 % similar 1-Chloro-4-fluoro-2-methylbenzene33406-96-154 % similar 5-Bromo-2-chlorotoluene54932-72-854 % similar P-Chlorocresol59-50-754 % similar 4-Chloro-3-methylaniline7149-75-954 % similar

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

Same formula

2-Chloro-1-iodo-4-methylbenzene116632-42-9 2-Iodobenzyl chloride59473-45-9 2-Chloro-4-iodo-1-methylbenzene83846-48-4

Elsewhere

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