chempirical

1-Bromo-3-chloro-2-fluorobenzene

C6H3BrClFCAS 144584-65-6209.44 g/mol

Open in Covalent MOL file
BrFCl
Aryl halide

Properties

Molecular formula
C6H3BrClF
Molar mass
209.44 g/mol
Exact mass
207.9091 Da
logP
3.24Crippen estimate
Polar surface area
0.0 Ų
H-bond donors / acceptors
0 / 0
Rotatable bonds
0

Identifiers

CAS number
144584-65-6
SMILES
C1=CC(=C(C(=C1)Br)F)Cl
InChIKey
DRNWNTAANHEQMK-UHFFFAOYSA-N
InChI
InChI=1S/C6H3BrClF/c7-4-2-1-3-5(8)6(4)9/h1-3H

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Work with 1-Bromo-3-chloro-2-fluorobenzene

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-Dichloro-2-fluorobenzene2268-05-567 % similar 1-Bromo-2,3-difluorobenzene38573-88-556 % similar 1-Bromo-2,3-dichlorobenzene56961-77-452 % similar 3-Chloro-2-fluorobenzenamine2106-04-952 % similar 3-Bromo-2-fluorobenzenamine58534-95-552 % similar 1-Bromo-2-fluoro-3-methylbenzene59907-12-952 % similar 1-Chloro-2-fluoro-3-iodobenzene72373-82-152 % similar 1-Chloro-2-fluoro-3-methylbenzene85089-31-252 % similar

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

Same formula

1-Bromo-2-chloro-4-fluorobenzene110407-59-5 2-Bromo-4-chloro-1-fluorobenzene1996-30-1 2-Bromo-1-chloro-4-fluorobenzene201849-15-2 4-Bromo-1-chloro-2-fluorobenzene60811-18-9 4-Bromo-2-chloro-1-fluorobenzene60811-21-4

Elsewhere

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