chempirical

1-Bromo-4-chloro-2-fluorobenzene

C6H3BrClFCAS 1996-29-8209.44 g/mol

Open in Covalent MOL file
ClFBr
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
1996-29-8
SMILES
C1=CC(=C(C=C1Cl)F)Br
InChIKey
FPNVMCMDWZNTEU-UHFFFAOYSA-N
InChI
InChI=1S/C6H3BrClF/c7-5-2-1-4(8)3-6(5)9/h1-3H

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Work with 1-Bromo-4-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

4-Chloro-1,2-difluorobenzene696-02-660 % similar 1-Bromo-2,4-dichlorobenzene1193-72-256 % similar 1,4-Dibromo-2-fluorobenzene1435-52-556 % similar 1-Bromo-2,4-difluorobenzene348-57-256 % similar 2,5-Dichlorofluorobenzene348-59-456 % similar 1-Bromo-2,5-dichloro-3-fluorobenzene202865-57-455 % similar 1,2-Dibromo-5-chloro-3-fluorobenzene208186-78-155 % similar 4-Bromo-3-fluorophenol121219-03-252 % 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 2-Bromo-4-chloro-1-fluorobenzene1996-30-1 2-Bromo-1-chloro-4-fluorobenzene201849-15-2 2-Bromo-1-chloro-3-fluorobenzene309721-44-6 1-Bromo-3-chloro-5-fluorobenzene33863-76-2 4-Bromo-1-chloro-2-fluorobenzene60811-18-9 4-Bromo-2-chloro-1-fluorobenzene60811-21-4

Elsewhere

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