chempirical

2-Bromo-3-fluorobenzonitrile

C7H3BrFNCAS 425379-16-4200.01 g/mol

Open in Covalent MOL file
FBrN
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
425379-16-4
SMILES
C1=CC(=C(C(=C1)F)Br)C#N
InChIKey
DBECKESJFGWYFN-UHFFFAOYSA-N
InChI
InChI=1S/C7H3BrFN/c8-7-5(4-10)2-1-3-6(7)9/h1-3H

Weigh it out

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Work with 2-Bromo-3-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-Fluorobenzonitrile394-47-863 % similar 2,3-Difluorobenzonitrile21524-39-060 % similar 3-Fluoro-1,2-benzenedicarbonitrile65610-13-160 % similar 2-Chloro-3-fluorobenzonitrile874781-08-558 % similar 2-Bromo-1,3-difluorobenzene64248-56-258 % similar 2-Amino-3-fluorobenzonitrile115661-37-556 % similar 3-Fluoro-2-methylbenzonitrile185147-06-256 % similar 2,6-Difluorobenzonitrile1897-52-552 % 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-5-fluorobenzonitrile57381-39-2 2-Bromo-6-fluorobenzonitrile79544-27-7 3-Bromo-4-fluorobenzonitrile79630-23-2

Elsewhere

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