chempirical

1,5-Dichloro-2-iodo-3-methylbenzene

C7H5Cl2ICAS 175277-97-1286.92 g/mol

Open in Covalent MOL file
ClClI
Aryl halide

Properties

Molecular formula
C7H5Cl2I
Molar mass
286.92 g/mol
Exact mass
285.8813 Da
logP
3.91Crippen estimate
Polar surface area
0.0 Ų
H-bond donors / acceptors
0 / 0
Rotatable bonds
0

Identifiers

CAS number
175277-97-1
SMILES
Cc1cc(Cl)cc(Cl)c1I
InChIKey
MNSJEXGGZOEAPS-UHFFFAOYSA-N
InChI
InChI=1S/C7H5Cl2I/c1-4-2-5(8)3-6(9)7(4)10/h2-3H,1H3

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

Names and synonyms

2 names
  • Benzene, 1,5-dichloro-2-iodo-3-methyl-
  • 3,5-Dichloro-2-iodotoluene

Work with 1,5-Dichloro-2-iodo-3-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

2,4-Dichloro-6-methylphenol1570-65-655 % similar 2,5-Dichlorotoluene19398-61-950 % similar 2,4-Dichlorotoluene95-73-850 % similar 4-Chloro-2,6-dimethylphenol1123-63-346 % similar 2,5-Dichloro-P-xylene1124-05-644 % similar 4-Chloro-1,2-dimethylbenzene615-60-143 % similar 1,3-Dichloro-2-iodobenzene19230-28-542 % similar 1,2,3,5-Tetrachlorobenzene634-90-242 % similar

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

Elsewhere

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