3-Chloro-2-iodotoluene

C₇H₆ClICAS 5100-98-1252.48 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

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

5100-98-1

SMILES

CC1=C(C(=CC=C1)Cl)I

InChIKey

FTGLKPMFTLNUBN-UHFFFAOYSA-N

InChI

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

Weigh it out

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

Work with 3-Chloro-2-iodotoluene

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

1,3-Dichloro-2-iodobenzene19230-28-567 % similar 2-Iodo-1,3-dimethylbenzene608-28-667 % similar 2-Chlorotoluene95-49-861 % similar 2,3-Dichlorotoluene32768-54-056 % similar 1-Chloro-2,3-dimethylbenzene608-23-156 % similar 1,5-Dichloro-2-iodo-3-methylbenzene175277-97-156 % similar 1-Chloro-3-fluoro-2-iodobenzene127654-70-052 % similar 3-Chloro-2-iodoaniline70237-25-152 % similar

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

Same formula

1-Chloro-4-iodo-2-methylbenzene116632-41-8 2-Chloro-1-iodo-4-methylbenzene116632-42-9 4-Chloro-1-iodo-2-methylbenzene23399-70-4 4-Chloro-2-iodotoluene33184-48-4 2-Chloro-6-iodotoluene42048-11-3 2-Iodobenzyl chloride59473-45-9 2-Chloro-4-iodo-1-methylbenzene83846-48-4

Elsewhere

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