chempirical

1,3-Dibromo-5-fluoro-2-iodobenzene

C6H2Br2FICAS 62720-29-0379.79 g/mol

Open in Covalent MOL file
FBrIBr
Aryl halide

Properties

Molecular formula
C6H2Br2FI
Molar mass
379.79 g/mol
Exact mass
377.7552 Da
logP
3.96Crippen estimate
Polar surface area
0.0 Ų
H-bond donors / acceptors
0 / 0
Rotatable bonds
0

Identifiers

CAS number
62720-29-0
SMILES
Fc1cc(Br)c(I)c(Br)c1
InChIKey
LIWKANDEJFABTQ-UHFFFAOYSA-N
InChI
InChI=1S/C6H2Br2FI/c7-4-1-3(9)2-5(8)6(4)10/h1-2H

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Names and synonyms

1 names
  • Benzene, 1,3-dibromo-5-fluoro-2-iodo-

Work with 1,3-Dibromo-5-fluoro-2-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

1,3-Dibromo-2,5-difluorobenzene128259-68-757 % similar 1,2,3-Tribromo-5-fluorobenzene576-82-957 % similar 1,3-Dibromo-2-chloro-5-fluorobenzene179897-90-652 % similar 2,6-Dibromo-4-fluoroaniline344-18-352 % similar 2,6-Dibromo-4-fluorophenol344-20-752 % similar 2-Bromo-4-fluoro-1-iodobenzene202865-73-452 % similar 1,2-Dibromo-3,5-difluorobenzene139215-43-348 % similar 1,2-Dibromo-4-fluorobenzene2369-37-148 % similar

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

Elsewhere

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