1,3-Dibromo-5-iodobenzene

C₆H₃Br₂ICAS 19752-57-9361.80 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₆H₃Br₂I
Molar mass: 361.80 g/mol
Exact mass: 359.7646 Da
Melting point: 122.5–123.5 °C
logP: 3.82Crippen estimate
Polar surface area: 0.0 Å²
H-bond donors / acceptors: 0 / 0
Rotatable bonds: 0

Identifiers

CAS number

19752-57-9

SMILES

Brc1cc(Br)cc(I)c1

InChIKey

KARUMYWDGQTPFL-UHFFFAOYSA-N

InChI

InChI=1S/C6H3Br2I/c7-4-1-5(8)3-6(9)2-4/h1-3H

Weigh it out

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

Names and synonyms

4 names

Benzene, 1,3-dibromo-5-iodo-
3,5-Dibromoiodobenzene
3,5-Dibromophenyl iodide
1-Iodo-3,5-dibromobenzene

Work with 1,3-Dibromo-5-iodobenzene

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-Bromo-3-chloro-5-iodobenzene13101-40-164 % similar 1-Bromo-3-iodobenzene591-18-455 % similar 3-Bromo-5-iodobenzoic acid188815-32-952 % similar 1-Bromo-4-iodobenzene589-87-750 % similar Methyl 3-bromo-5-iodobenzoate188813-07-247 % similar 4-Bromo-4'-iodobiphenyl105946-82-543 % similar 5-Bromo-2-iodo-1,3-dimethylbenzene206559-43-543 % similar 1,3-Dibromo-5-fluorobenzene1435-51-443 % similar

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

Elsewhere

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