1,4-Diiodo-2,3,5,6-tetramethylbenzene

C10H12I2CAS 3268-21-1386.01 g/mol

Open in Covalent MOL file
II
Aryl halide

Properties

Molecular formula
C10H12I2
Molar mass
386.01 g/mol
Exact mass
385.9028 Da
logP
4.13Crippen estimate
Polar surface area
0.0 Ų
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.

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Identifiers

CAS number
3268-21-1
SMILES
CC1=C(C(=C(C(=C1I)C)C)I)C
InChIKey
YSKCEXICRGEWDI-UHFFFAOYSA-N
InChI
InChI=1S/C10H12I2/c1-5-6(2)10(12)8(4)7(3)9(5)11/h1-4H3

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Work with 1,4-Diiodo-2,3,5,6-tetramethylbenzene

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-2,3,4,5,6-pentamethylbenzene3853-91-692 % similar 3-Iodo-1,2,4,5-tetramethylbenzene2100-25-659 % similar Hexamethylbenzene87-85-442 % similar 2-Iodo-1,3-dimethylbenzene608-28-637 % similar Prehnitene488-23-335 % similar Iodomesitylene4028-63-135 % similar Pentamethylbenzene700-12-933 % similar 5-Bromo-2-iodo-1,3-dimethylbenzene206559-43-532 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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