chempirical

1-Bromo-3-chloro-5-fluorobenzene

C6H3BrClFCAS 33863-76-2209.44 g/mol

Open in Covalent MOL file
ClBrF
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
33863-76-2
SMILES
C1=C(C=C(C=C1Cl)Br)F
InChIKey
GGMDFPMASIXEIR-UHFFFAOYSA-N
InChI
InChI=1S/C6H3BrClF/c7-4-1-5(8)3-6(9)2-4/h1-3H

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

3,5-Difluorochlorobenzene1435-43-464 % similar 1,3-Dichloro-5-fluorobenzene1435-46-764 % similar 1,3-Dibromo-5-fluorobenzene1435-51-464 % similar 1,3-Dibromo-5-chlorobenzene14862-52-364 % similar Bromo-3,5-dichlorobenzene19752-55-764 % similar 1-Bromo-3,5-difluorobenzene461-96-164 % similar 1-Bromo-3-fluorobenzene1073-06-950 % similar 1-Bromo-3-chloro-5-iodobenzene13101-40-150 % similar

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

Same formula

1-Bromo-2-chloro-4-fluorobenzene110407-59-5 1-Bromo-3-chloro-2-fluorobenzene144584-65-6 1-Bromo-4-chloro-2-fluorobenzene1996-29-8 2-Bromo-4-chloro-1-fluorobenzene1996-30-1 2-Bromo-1-chloro-4-fluorobenzene201849-15-2 2-Bromo-1-chloro-3-fluorobenzene309721-44-6 4-Bromo-1-chloro-2-fluorobenzene60811-18-9 4-Bromo-2-chloro-1-fluorobenzene60811-21-4

Elsewhere

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