chempirical

1-Bromo-4-fluoro-2-iodobenzene

C6H3BrFICAS 202865-72-3300.90 g/mol

Open in Covalent MOL file
FIBr
Aryl halide

Properties

Molecular formula
C6H3BrFI
Molar mass
300.90 g/mol
Exact mass
299.8447 Da
logP
3.19Crippen estimate
Polar surface area
0.0 Ų
H-bond donors / acceptors
0 / 0
Rotatable bonds
0

Identifiers

CAS number
202865-72-3
SMILES
C1=CC(=C(C=C1F)I)Br
InChIKey
QDCBSSUCEUMLGC-UHFFFAOYSA-N
InChI
InChI=1S/C6H3BrFI/c7-5-2-1-4(8)3-6(5)9/h1-3H

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Work with 1-Bromo-4-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

1,2-Dibromo-4-fluorobenzene2369-37-160 % similar 2-Bromo-5-fluorotoluene452-63-157 % similar 1,4-Difluoro-2-iodobenzene2265-92-156 % similar 1-Bromo-2,4-difluorobenzene348-57-256 % similar 4-Fluoro-2-iodo-1-methylbenzene13194-67-754 % similar 2-Bromo-5-fluorobenzenamine1003-99-252 % similar 1-Bromo-2-chloro-4-fluorobenzene110407-59-552 % similar 2-Bromo-4-fluorotoluene1422-53-352 % similar

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

Same formula

4-Bromo-2-fluoro-1-iodobenzene105931-73-5 3-Iodo-4-fluorobromobenzene116272-41-4 1-Bromo-2-fluoro-4-iodobenzene136434-77-0 2-Bromo-4-fluoro-1-iodobenzene202865-73-4

Elsewhere

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