chempirical

3-Bromo-2-fluorobenzenamine

C6H5BrFNCAS 58534-95-5190.02 g/mol

Open in Covalent MOL file
H2NBrF
Aryl halidePrimary amine

Properties

Molecular formula
C6H5BrFN
Molar mass
190.02 g/mol
Exact mass
188.9589 Da
logP
2.17Crippen estimate
Polar surface area
26.0 Ų
H-bond donors / acceptors
1 / 1
Rotatable bonds
0

Identifiers

CAS number
58534-95-5
SMILES
Nc1cccc(Br)c1F
InChIKey
HYPQOSVTIONWSN-UHFFFAOYSA-N
InChI
InChI=1S/C6H5BrFN/c7-4-2-1-3-5(9)6(4)8/h1-3H,9H2

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Names and synonyms

3 names
  • Benzenamine, 3-bromo-2-fluoro-
  • 3-Bromo-2-fluorophenylamine
  • 3-Bromo-2-fluoroaniline

Work with 3-Bromo-2-fluorobenzenamine

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-Bromo-2,3-difluorobenzenamine112279-72-868 % similar 4-Bromo-3-chloro-2-fluoroaniline115843-99-759 % similar 2,3-Difluoroaniline4519-40-858 % similar 3-Chloro-2-fluorobenzenamine2106-04-956 % similar 2-Bromoaniline615-36-154 % similar 1-Bromo-2,3-difluorobenzene38573-88-554 % similar 3-Bromo-2-methylaniline55289-36-652 % similar 2-Fluoro-3-(trifluoromethyl)aniline123973-25-150 % similar

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

Same formula

2-Bromo-4-fluoroaniline1003-98-1 2-Bromo-5-fluorobenzenamine1003-99-2 2-Bromo-3-fluoroaniline111721-75-6 4-Bromo-2-fluoro-3-methylpyridine128071-79-4 3-Bromo-5-fluoroaniline134168-97-1 3-Bromo-2-fluoro-5-methylpyridine17282-01-8 5-Bromo-2-fluorobenzenamine2924-09-6 4-Bromo-2-fluoroaniline367-24-8

Elsewhere

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