chempirical

1-Bromo-5-chloro-3-fluoro-2-iodobenzene

C6H2BrClFICAS 201849-16-3335.34 g/mol

Open in Covalent MOL file
FIBrCl
Aryl halide

Properties

Molecular formula
C6H2BrClFI
Molar mass
335.34 g/mol
Exact mass
333.8057 Da
logP
3.85Crippen 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. Search the SDS library

Identifiers

CAS number
201849-16-3
SMILES
C1=C(C=C(C(=C1F)I)Br)Cl
InChIKey
IKJUIUCZEXVZMB-UHFFFAOYSA-N
InChI
InChI=1S/C6H2BrClFI/c7-4-1-3(8)2-5(9)6(4)10/h1-2H

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Work with 1-Bromo-5-chloro-3-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

2-Bromo-4,6-difluoroiodobenzene175278-11-260 % similar 1-Bromo-2,5-dichloro-3-fluorobenzene202865-57-460 % similar 1,2-Dibromo-5-chloro-3-fluorobenzene208186-78-160 % similar 2-Bromo-4-chloro-6-fluorobenzenamine195191-47-056 % similar 2-Bromo-4-chloro-6-fluorophenol886499-88-356 % similar 1-Bromo-3-fluoro-2-iodobenzene450412-29-053 % similar 1-Bromo-4-chloro-2-fluorobenzene1996-29-852 % similar 2-Bromo-4-chloro-1-fluorobenzene1996-30-152 % similar

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

Elsewhere

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