chempirical

2-Bromo-6-fluorobenzonitrile

C7H3BrFNCAS 79544-27-7200.01 g/mol

Open in Covalent MOL file
BrNF
Aryl halideNitrile

Properties

Molecular formula
C7H3BrFN
Molar mass
200.01 g/mol
Exact mass
198.9433 Da
logP
2.46Crippen estimate
Polar surface area
23.8 Ų
H-bond donors / acceptors
0 / 1
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
79544-27-7
SMILES
C1=CC(=C(C(=C1)Br)C#N)F
InChIKey
IELGUZKHALDFOO-UHFFFAOYSA-N
InChI
InChI=1S/C7H3BrFN/c8-6-2-1-3-7(9)5(6)4-10/h1-3H

Weigh it out

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Work with 2-Bromo-6-fluorobenzonitrile

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

2,6-Difluorobenzonitrile1897-52-572 % similar 3-Fluoro-1,2-benzenedicarbonitrile65610-13-162 % similar 2-Chloro-6-fluorobenzonitrile668-45-160 % similar 2-Cyano-3-fluorophenol140675-43-058 % similar 2-Fluoro-6-methylbenzonitrile198633-76-058 % similar 2-Amino-6-fluorobenzonitrile77326-36-458 % similar 2-Fluoro-6-iodobenzonitrile79544-29-958 % similar 2-Amino-6-bromobenzonitrile77326-62-655 % similar

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

Same formula

4-Bromo-2-fluorobenzonitrile105942-08-3 4-Bromo-3-fluorobenzonitrile133059-44-6 5-Bromo-2-fluorobenzonitrile179897-89-3 3-Bromo-5-fluorobenzonitrile179898-34-1 2-Bromo-4-fluorobenzonitrile36282-26-5 2-Bromo-3-fluorobenzonitrile425379-16-4 2-Bromo-5-fluorobenzonitrile57381-39-2 3-Bromo-4-fluorobenzonitrile79630-23-2

Elsewhere

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